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Piperazines

Organic heterocyclic compounds that consist of a six-membered ring with four carbon atoms and two nitrogen atoms at opposite positions in the ring.
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1

MilliporeSigma™ Bisbenzimide H 33258 Fluorochrome, Trihydrochloride Calbiochem™,

CAS: 23491-45-4 Molecular Formula: C25H37Cl3N6O6 Molecular Weight (g/mol): 623.957 InChI Key: URHMSNPWJDDZSH-UHFFFAOYSA-N Synonym: bisbenzimide h 33258 fluorochrome trihydrochloride PubChem CID: 18386398 IUPAC Name: 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one;pentahydrate;trihydrochloride SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5.O.O.O.O.O.Cl.Cl.Cl

PubChem CID 18386398
CAS 23491-45-4
Molecular Weight (g/mol) 623.957
SMILES CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5.O.O.O.O.O.Cl.Cl.Cl
Synonym bisbenzimide h 33258 fluorochrome trihydrochloride
IUPAC Name 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one;pentahydrate;trihydrochloride
InChI Key URHMSNPWJDDZSH-UHFFFAOYSA-N
Molecular Formula C25H37Cl3N6O6
2

DBD-PZ 98.0+%, TCI America™
SDP

CAS: 139332-64-2 Molecular Formula: C12H17N5O3S Molecular Weight (g/mol): 311.36 MDL Number: MFCD00191375 InChI Key: XFQLOSBBYVMBGT-UHFFFAOYSA-N Synonym: 4-(N,N-Dimethylaminosulfonyl)-7-piperazinobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-piperazino-2,1,3-benzoxadiazole PubChem CID: 132229 IUPAC Name: N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3

PubChem CID 132229
CAS 139332-64-2
Molecular Weight (g/mol) 311.36
MDL Number MFCD00191375
SMILES CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3
Synonym 4-(N,N-Dimethylaminosulfonyl)-7-piperazinobenzofurazan, 4-(N,N-Dimethylaminosulfonyl)-7-piperazino-2,1,3-benzoxadiazole
IUPAC Name N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide
InChI Key XFQLOSBBYVMBGT-UHFFFAOYSA-N
Molecular Formula C12H17N5O3S
3

NBD-PZ (=4-Nitro-7-piperazino-2,1,3-benzoxadiazole) 98.0+%, TCI America™
SDP

CAS: 139332-66-4 Molecular Formula: C10H11N5O3 Molecular Weight (g/mol): 249.23 MDL Number: MFCD00191507 InChI Key: MVLWYDGJBGPXOL-UHFFFAOYSA-N Synonym: 4-Nitro-7-piperazinobenzofurazan, 4-Nitro-7-piperazino-2,1,3-benzoxadiazole PubChem CID: 10586684 IUPAC Name: 4-nitro-7-(piperazin-1-yl)-2,1,3-benzoxadiazole SMILES: [O-][N+](=O)C1=CC=C(N2CCNCC2)C2=NON=C12

PubChem CID 10586684
CAS 139332-66-4
Molecular Weight (g/mol) 249.23
MDL Number MFCD00191507
SMILES [O-][N+](=O)C1=CC=C(N2CCNCC2)C2=NON=C12
Synonym 4-Nitro-7-piperazinobenzofurazan, 4-Nitro-7-piperazino-2,1,3-benzoxadiazole
IUPAC Name 4-nitro-7-(piperazin-1-yl)-2,1,3-benzoxadiazole
InChI Key MVLWYDGJBGPXOL-UHFFFAOYSA-N
Molecular Formula C10H11N5O3
4

Ziprasidone 98.0+%, TCI America™
SDP

CAS: 146939-27-7 Molecular Formula: C21H21ClN4OS Molecular Weight (g/mol): 412.936 MDL Number: MFCD00866661 InChI Key: MVWVFYHBGMAFLY-UHFFFAOYSA-N PubChem CID: 60854 ChEBI: CHEBI:10119 IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one SMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54

PubChem CID 60854
CAS 146939-27-7
Molecular Weight (g/mol) 412.936
ChEBI CHEBI:10119
MDL Number MFCD00866661
SMILES C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
IUPAC Name 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one
InChI Key MVWVFYHBGMAFLY-UHFFFAOYSA-N
Molecular Formula C21H21ClN4OS
5

Ziprasidone Hydrochloride Monohydrate 98.0+%, TCI America™
SDP

CAS: 138982-67-9 Molecular Formula: C21H24Cl2N4O2S Molecular Weight (g/mol): 467.409 MDL Number: MFCD00921885 InChI Key: ZCBZSCBNOOIHFP-UHFFFAOYSA-N Synonym: ziprasidone hydrochloride monohydrate,ziprasidone hydrochloride,geodon,5-2-4-benzo d isothiazol-3-yl piperazin-1-yl ethyl-6-chloroindolin-2-one hydrochloride hydrate,unii-216x081oru,ziprasidone hcl hydrate,ziprasidone hydrochloride usan:usp,zeldox,ziprasidone hydrochloride usan PubChem CID: 60853 ChEBI: CHEBI:32314 IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride SMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl

PubChem CID 60853
CAS 138982-67-9
Molecular Weight (g/mol) 467.409
ChEBI CHEBI:32314
MDL Number MFCD00921885
SMILES C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl
Synonym ziprasidone hydrochloride monohydrate,ziprasidone hydrochloride,geodon,5-2-4-benzo d isothiazol-3-yl piperazin-1-yl ethyl-6-chloroindolin-2-one hydrochloride hydrate,unii-216x081oru,ziprasidone hcl hydrate,ziprasidone hydrochloride usan:usp,zeldox,ziprasidone hydrochloride usan
IUPAC Name 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrate;hydrochloride
InChI Key ZCBZSCBNOOIHFP-UHFFFAOYSA-N
Molecular Formula C21H24Cl2N4O2S
6

2'-(4-Hydroxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bibenzimidazole Trihydrochloride Hydrate 98.0+%, TCI America™
SDP

CAS: 23491-45-4 Molecular Formula: C25H37Cl3N6O6 Molecular Weight (g/mol): 623.957 MDL Number: MFCD00012679 InChI Key: URHMSNPWJDDZSH-UHFFFAOYSA-N Synonym: bisbenzimide h 33258 fluorochrome trihydrochloride PubChem CID: 18386398 IUPAC Name: 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one;pentahydrate;trihydrochloride SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5.O.O.O.O.O.Cl.Cl.Cl

PubChem CID 18386398
CAS 23491-45-4
Molecular Weight (g/mol) 623.957
MDL Number MFCD00012679
SMILES CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC(=C6C=CC(=O)C=C6)N5.O.O.O.O.O.Cl.Cl.Cl
Synonym bisbenzimide h 33258 fluorochrome trihydrochloride
IUPAC Name 4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1,3-dihydrobenzimidazol-2-ylidene]cyclohexa-2,5-dien-1-one;pentahydrate;trihydrochloride
InChI Key URHMSNPWJDDZSH-UHFFFAOYSA-N
Molecular Formula C25H37Cl3N6O6
7

Vilazodone Hydrochloride 98.0+%, TCI America™
SDP

CAS: 163521-08-2 Molecular Formula: C26H28ClN5O2 Molecular Weight (g/mol): 477.993 MDL Number: MFCD00940014 InChI Key: RPZBRGFNBNQSOP-UHFFFAOYSA-N Synonym: 5-[4-[4-(5-Cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide Hydrochloride PubChem CID: 6918313 ChEBI: CHEBI:70705 IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride SMILES: C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl

PubChem CID 6918313
CAS 163521-08-2
Molecular Weight (g/mol) 477.993
ChEBI CHEBI:70705
MDL Number MFCD00940014
SMILES C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl
Synonym 5-[4-[4-(5-Cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxamide Hydrochloride
IUPAC Name 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
InChI Key RPZBRGFNBNQSOP-UHFFFAOYSA-N
Molecular Formula C26H28ClN5O2
8

Doxazosin Mesylate 98.0+%, TCI America™
SDP

CAS: 77883-43-3 Molecular Formula: C24H29N5O8S Molecular Weight (g/mol): 547.583 MDL Number: MFCD00216023 InChI Key: VJECBOKJABCYMF-UHFFFAOYSA-N Synonym: doxazosin mesylate,cardura,carduran,cardular,cardura xl,cardenalin,dedralen,diblocin,doxazomerck,progandol PubChem CID: 62978 ChEBI: CHEBI:4709 IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;methanesulfonic acid SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC.CS(=O)(=O)O

PubChem CID 62978
CAS 77883-43-3
Molecular Weight (g/mol) 547.583
ChEBI CHEBI:4709
MDL Number MFCD00216023
SMILES COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC.CS(=O)(=O)O
Synonym doxazosin mesylate,cardura,carduran,cardular,cardura xl,cardenalin,dedralen,diblocin,doxazomerck,progandol
IUPAC Name [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone;methanesulfonic acid
InChI Key VJECBOKJABCYMF-UHFFFAOYSA-N
Molecular Formula C24H29N5O8S
9

tert-Butyl 4-(6-Amino-3-pyridyl)piperazine-1-carboxylate 98.0+%, TCI America™
SDP

CAS: 571188-59-5 Molecular Formula: C14H22N4O2 Molecular Weight (g/mol): 278.36 MDL Number: MFCD11594962 InChI Key: RMULRXHUNOVPEI-UHFFFAOYSA-N Synonym: tert-butyl 4-6-aminopyridin-3-yl piperazine-1-carboxylate,1-boc-4-6-aminopyridin-3-yl piperazine,tert-butyl 4-6-amino-3-pyridyl piperazine-1-carboxylate,1-boc-4-6-amino-3-pyridyl piperazine,4-6-amino-3-pyridyl-1-boc-piperazine,1-piperazinecarboxylic acid, 4-6-amino-3-pyridinyl-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-4-6-amino-3-pyridyl piperazine,t-butyl 4-6-aminopyridin-3-yl piperazine-1-carboxylate,tert-butyl4-6-aminopyridin-3-yl piperazine-1-carboxylate,4-6-amino-3-pyridyl piperazine-1-carboxylic acid tert-butyl ester PubChem CID: 11737525 IUPAC Name: tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C1=CN=C(N)C=C1

PubChem CID 11737525
CAS 571188-59-5
Molecular Weight (g/mol) 278.36
MDL Number MFCD11594962
SMILES CC(C)(C)OC(=O)N1CCN(CC1)C1=CN=C(N)C=C1
Synonym tert-butyl 4-6-aminopyridin-3-yl piperazine-1-carboxylate,1-boc-4-6-aminopyridin-3-yl piperazine,tert-butyl 4-6-amino-3-pyridyl piperazine-1-carboxylate,1-boc-4-6-amino-3-pyridyl piperazine,4-6-amino-3-pyridyl-1-boc-piperazine,1-piperazinecarboxylic acid, 4-6-amino-3-pyridinyl-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-4-6-amino-3-pyridyl piperazine,t-butyl 4-6-aminopyridin-3-yl piperazine-1-carboxylate,tert-butyl4-6-aminopyridin-3-yl piperazine-1-carboxylate,4-6-amino-3-pyridyl piperazine-1-carboxylic acid tert-butyl ester
IUPAC Name tert-butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
InChI Key RMULRXHUNOVPEI-UHFFFAOYSA-N
Molecular Formula C14H22N4O2
10

1-(4-Aminophenyl)-4-(4-methoxyphenyl)piperazine 96.0+%, TCI America™
SDP

CAS: 74852-62-3 Molecular Formula: C17H21N3O Molecular Weight (g/mol): 283.375 MDL Number: MFCD02071496 InChI Key: VXEGSRKPIUDPQT-UHFFFAOYSA-N Synonym: 4-[4-(4-Methoxyphenyl)-1-piperazinyl]aniline PubChem CID: 154406 IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]aniline SMILES: COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)N

PubChem CID 154406
CAS 74852-62-3
Molecular Weight (g/mol) 283.375
MDL Number MFCD02071496
SMILES COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)N
Synonym 4-[4-(4-Methoxyphenyl)-1-piperazinyl]aniline
IUPAC Name 4-[4-(4-methoxyphenyl)piperazin-1-yl]aniline
InChI Key VXEGSRKPIUDPQT-UHFFFAOYSA-N
Molecular Formula C17H21N3O
11

1-(4-Chlorophenyl)piperazine Hydrochloride 98.0+%, TCI America™
SDP

CAS: 13078-12-1 Molecular Formula: C10H14Cl2N2 Molecular Weight (g/mol): 233.136 MDL Number: MFCD00060187 InChI Key: ZHGRQBSZTVJDHU-UHFFFAOYSA-N Synonym: 1-4-chlorophenyl piperazine hydrochloride,para-chlorophenylpiperazine hydrochloride,timtec-bb sbb003262,piperazine, 1-4-chlorophenyl-, monohydrochloride,4-chlorophenyl piperazine, chloride,1-4-chlorophenyl piperazine;hydrochloride,1-4-chlorophenyl-piperazine hydrochloride,acmc-1c3h8,1-4-chlorophenyl piperazine hcl,1-4-chlorophenyl piperazinehydrochloride PubChem CID: 3084720 IUPAC Name: 1-(4-chlorophenyl)piperazine;hydrochloride SMILES: C1CN(CCN1)C2=CC=C(C=C2)Cl.Cl

PubChem CID 3084720
CAS 13078-12-1
Molecular Weight (g/mol) 233.136
MDL Number MFCD00060187
SMILES C1CN(CCN1)C2=CC=C(C=C2)Cl.Cl
Synonym 1-4-chlorophenyl piperazine hydrochloride,para-chlorophenylpiperazine hydrochloride,timtec-bb sbb003262,piperazine, 1-4-chlorophenyl-, monohydrochloride,4-chlorophenyl piperazine, chloride,1-4-chlorophenyl piperazine;hydrochloride,1-4-chlorophenyl-piperazine hydrochloride,acmc-1c3h8,1-4-chlorophenyl piperazine hcl,1-4-chlorophenyl piperazinehydrochloride
IUPAC Name 1-(4-chlorophenyl)piperazine;hydrochloride
InChI Key ZHGRQBSZTVJDHU-UHFFFAOYSA-N
Molecular Formula C10H14Cl2N2
12

Naftopidil 98.0+%, TCI America™
SDP

CAS: 57149-07-2 Molecular Formula: C24H28N2O3 Molecular Weight (g/mol): 392.50 MDL Number: MFCD00242741,MFCD11046013 InChI Key: HRRBJVNMSRJFHQ-UHFFFAOYNA-N Synonym: naftopidil,flivas,avishot,naftopidil inn,naftopidilum latin,naftopidil flivas,naftopidil unspecified,+--1-4-2-methoxyphenyl piperazinyl-3-1-naphthyloxy propan-2-ol,rs-1-4-2-methoxyphenyl-1-piperazinyl-3-1-naphthyloxy-2-propanol,1-4-2-methoxyphenyl piperazin-1-yl-3-naphthalen-1-yloxy propan-2-ol PubChem CID: 4418 IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(naphthalen-1-yloxy)propan-2-ol SMILES: COC1=CC=CC=C1N1CCN(CC(O)COC2=C3C=CC=CC3=CC=C2)CC1

PubChem CID 4418
CAS 57149-07-2
Molecular Weight (g/mol) 392.50
MDL Number MFCD00242741,MFCD11046013
SMILES COC1=CC=CC=C1N1CCN(CC(O)COC2=C3C=CC=CC3=CC=C2)CC1
Synonym naftopidil,flivas,avishot,naftopidil inn,naftopidilum latin,naftopidil flivas,naftopidil unspecified,+--1-4-2-methoxyphenyl piperazinyl-3-1-naphthyloxy propan-2-ol,rs-1-4-2-methoxyphenyl-1-piperazinyl-3-1-naphthyloxy-2-propanol,1-4-2-methoxyphenyl piperazin-1-yl-3-naphthalen-1-yloxy propan-2-ol
IUPAC Name 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(naphthalen-1-yloxy)propan-2-ol
InChI Key HRRBJVNMSRJFHQ-UHFFFAOYNA-N
Molecular Formula C24H28N2O3
13

Terazosin Hydrochloride Dihydrate 98.0+%, TCI America™
SDP

CAS: 70024-40-7 Molecular Formula: C19H30ClN5O6 Molecular Weight (g/mol): 459.928 MDL Number: MFCD00941408 InChI Key: NZMOFYDMGFQZLS-UHFFFAOYSA-N Synonym: terazosin hydrochloride dihydrate,magnurol,dysalfa,flotrin,heitrin,hytrine,adecur,deflox,urodie,hytrin PubChem CID: 63016 ChEBI: CHEBI:9446 IUPAC Name: [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;dihydrate;hydrochloride SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.O.O.Cl

PubChem CID 63016
CAS 70024-40-7
Molecular Weight (g/mol) 459.928
ChEBI CHEBI:9446
MDL Number MFCD00941408
SMILES COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4CCCO4)N)OC.O.O.Cl
Synonym terazosin hydrochloride dihydrate,magnurol,dysalfa,flotrin,heitrin,hytrine,adecur,deflox,urodie,hytrin
IUPAC Name [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone;dihydrate;hydrochloride
InChI Key NZMOFYDMGFQZLS-UHFFFAOYSA-N
Molecular Formula C19H30ClN5O6
14

1-(2-Pyrimidyl)piperazine Dihydrochloride 98.0+%, TCI America™
SDP

CAS: 94021-22-4 Molecular Formula: C8H14Cl2N4 Molecular Weight (g/mol): 237.128 MDL Number: MFCD00012779 InChI Key: ZNZGJSLHXOMREP-UHFFFAOYSA-N Synonym: 2-1-piperazinyl pyrimidine dihydrochloride,1-2-pyrimidyl piperazine dihydrochloride,2-piperazin-1-yl pyrimidine dihydrochloride,1-2-pyrimidinyl piperazine dihydrochloride,2-piperazinylpyrimidine hcl,2-piperazinylpyrimidine dihydrochloride,2-piperazin-1-ylpyrimidine dihydrochloride,pyrimidine, 2-1-piperazinyl-, dihydrochloride,pyrimidinylpiperazine dihydrochloride,pubchem7349 PubChem CID: 11680272 IUPAC Name: 2-piperazin-1-ylpyrimidine;dihydrochloride SMILES: C1CN(CCN1)C2=NC=CC=N2.Cl.Cl

PubChem CID 11680272
CAS 94021-22-4
Molecular Weight (g/mol) 237.128
MDL Number MFCD00012779
SMILES C1CN(CCN1)C2=NC=CC=N2.Cl.Cl
Synonym 2-1-piperazinyl pyrimidine dihydrochloride,1-2-pyrimidyl piperazine dihydrochloride,2-piperazin-1-yl pyrimidine dihydrochloride,1-2-pyrimidinyl piperazine dihydrochloride,2-piperazinylpyrimidine hcl,2-piperazinylpyrimidine dihydrochloride,2-piperazin-1-ylpyrimidine dihydrochloride,pyrimidine, 2-1-piperazinyl-, dihydrochloride,pyrimidinylpiperazine dihydrochloride,pubchem7349
IUPAC Name 2-piperazin-1-ylpyrimidine;dihydrochloride
InChI Key ZNZGJSLHXOMREP-UHFFFAOYSA-N
Molecular Formula C8H14Cl2N4
15

Ketoconazole 98.0+%, TCI America™
SDP

CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 MDL Number: MFCD00058579 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

PubChem CID 76973198
CAS 65277-42-1
Molecular Weight (g/mol) 534.452
MDL Number MFCD00058579
SMILES CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
Synonym ketoconazole
IUPAC Name 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChI Key XMAYWYJOQHXEEK-SIULDFEJSA-N
Molecular Formula C26H28Cl2N4O4