Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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316 – 330 of 162,698 results

316

beta-Nicotinamide adenine dinucleotide reduced disodium salt trihydrate, 98%

CAS: 497934-76-6 Molecular Formula: C21H27N7Na2O14P2 Molecular Weight (g/mol): 709.41 MDL Number: MFCD00036200 InChI Key: QRGNQKGQENGQSE-WUEGHLCSSA-L Synonym: nadh disodium salt trihydrate,beta-nicotinamide adenine dinucleotide reduced disodium salt trihydrate PubChem CID: 101609545 IUPAC Name: disodium [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate SMILES: [Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O

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Specifications

PubChem CID	101609545
CAS	497934-76-6
Molecular Weight (g/mol)	709.41
MDL Number	MFCD00036200
SMILES	[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Synonym	nadh disodium salt trihydrate,beta-nicotinamide adenine dinucleotide reduced disodium salt trihydrate
IUPAC Name	disodium [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
InChI Key	QRGNQKGQENGQSE-WUEGHLCSSA-L
Molecular Formula	C21H27N7Na2O14P2

317

D-(+)-Glucosamine hydrochloride, 99.83%, MP Biomedicals™

CAS: 66-84-2 Molecular Formula: C₆H₁₃NO₅·HCI Synonym: 2-Amino-2-deoxy-D -glucose,Chitosamine

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Specifications

CAS	66-84-2
Synonym	2-Amino-2-deoxy-D -glucose,Chitosamine
Molecular Formula	C₆H₁₃NO₅·HCI

318

Thermo Scientific Chemicals N-[(2S,3R)-3-Amino-2-hydroxy-4-phenylbutyryl]-L-leucine, 97%

CAS: 58970-76-6 Molecular Formula: C16H24N2O4 Molecular Weight (g/mol): 308.38 MDL Number: MFCD00083262 InChI Key: VGGGPCQERPFHOB-MCIONIFRSA-N Synonym: bestatin,ubenimex,ubenimexum latin,ubenimex inn:jan,bestatin;ubenimex,s-2-2s,3r-3-amino-2-hydroxy-4-phenylbutanamido-4-methylpentanoic acid,ubenimex bestatin,chembl29292,2s,3r-3-amino-2-hydroxy-4-phenylbutanoyl-l-leucine,3-r-amino-2-s-hydroxy-4-phenylbutanoyl-s-leucine PubChem CID: 72172 IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid SMILES: CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O

Pricing & Availability
Specifications

PubChem CID	72172
CAS	58970-76-6
Molecular Weight (g/mol)	308.38
MDL Number	MFCD00083262
SMILES	CC(C)C[C@@H](NC(=O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(O)=O
Synonym	bestatin,ubenimex,ubenimexum latin,ubenimex inn:jan,bestatin;ubenimex,s-2-2s,3r-3-amino-2-hydroxy-4-phenylbutanamido-4-methylpentanoic acid,ubenimex bestatin,chembl29292,2s,3r-3-amino-2-hydroxy-4-phenylbutanoyl-l-leucine,3-r-amino-2-s-hydroxy-4-phenylbutanoyl-s-leucine
IUPAC Name	(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoic acid
InChI Key	VGGGPCQERPFHOB-MCIONIFRSA-N
Molecular Formula	C16H24N2O4

319

Quinine monohydrochloride dihydrate, 99%

CAS: 6119-47-7 Molecular Formula: C20H29ClN2O4 Molecular Weight (g/mol): 396.91 MDL Number: MFCD00151248 InChI Key: MPQKYZPYCSTMEI-VQYSEXPNNA-N Synonym: quinine hcl dihydrate PubChem CID: 124080947 IUPAC Name: (R)-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride SMILES: O.O.Cl.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

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Specifications

PubChem CID	124080947
CAS	6119-47-7
Molecular Weight (g/mol)	396.91
MDL Number	MFCD00151248
SMILES	O.O.Cl.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
Synonym	quinine hcl dihydrate
IUPAC Name	(R)-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride
InChI Key	MPQKYZPYCSTMEI-VQYSEXPNNA-N
Molecular Formula	C20H29ClN2O4

320

Calcium 3-hydroxy-3-methylbutyrate hydrate, 97+%

CAS: 135236-72-5 Molecular Formula: C10H18CaO6 Molecular Weight (g/mol): 274.33 MDL Number: MFCD01318562 InChI Key: WLJUMPWVUPNXMF-UHFFFAOYSA-L Synonym: calcium 3-hydroxy-3-methyl butyrate PubChem CID: 131847069 SMILES: [Ca++].CC(C)(O)CC([O-])=O.CC(C)(O)CC([O-])=O

Pricing & Availability
Specifications

PubChem CID	131847069
CAS	135236-72-5
Molecular Weight (g/mol)	274.33
MDL Number	MFCD01318562
SMILES	[Ca++].CC(C)(O)CC([O-])=O.CC(C)(O)CC([O-])=O
Synonym	calcium 3-hydroxy-3-methyl butyrate
InChI Key	WLJUMPWVUPNXMF-UHFFFAOYSA-L
Molecular Formula	C10H18CaO6

321

Methotrexate, MP Biomedicals™

CAS: 59-05-2 Molecular Formula: C20H22N8O5 Molecular Weight (g/mol): 454.447 InChI Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N Synonym: methotrexate,abitrexate,rheumatrex,amethopterin,mexate,metatrexan,hdmtx,trexall,methylaminopterinum,antifolan PubChem CID: 126941 ChEBI: CHEBI:44185 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Pricing & Availability
Specifications

PubChem CID	126941
CAS	59-05-2
Molecular Weight (g/mol)	454.447
ChEBI	CHEBI:44185
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Synonym	methotrexate,abitrexate,rheumatrex,amethopterin,mexate,metatrexan,hdmtx,trexall,methylaminopterinum,antifolan
IUPAC Name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
InChI Key	FBOZXECLQNJBKD-ZDUSSCGKSA-N
Molecular Formula	C20H22N8O5

322

Thermo Scientific Chemicals Chloroprocaine hydrochloride

CAS: 3858-89-7 Molecular Formula: C13H20Cl2N2O2 Molecular Weight (g/mol): 307.22 InChI Key: SZKQYDBPUCZLRX-UHFFFAOYSA-N IUPAC Name: 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate hydrochloride SMILES: Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1Cl

Pricing & Availability
Specifications

CAS	3858-89-7
Molecular Weight (g/mol)	307.22
SMILES	Cl.CCN(CC)CCOC(=O)C1=CC=C(N)C=C1Cl
IUPAC Name	2-(diethylamino)ethyl 4-amino-2-chlorobenzoate hydrochloride
InChI Key	SZKQYDBPUCZLRX-UHFFFAOYSA-N
Molecular Formula	C13H20Cl2N2O2

323

4,4-Dimethyl-2-cyclohexen-1-one, 96%

CAS: 1073-13-8 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.18 MDL Number: MFCD00009695 InChI Key: HAUNPYVLVAIUOO-UHFFFAOYSA-N Synonym: 4,4-dimethyl-2-cyclohexen-1-one,4,4-dimethylcyclohex-2-enone,2-cyclohexen-1-one, 4,4-dimethyl,4,4-dimethyl-2-cyclohexenone,4,4-dimethylcyclohexenone,4,4-dimethyl-2-cyclohexene-1-one,4,4-dimethyl-cyclohex-2-en-1-one,pubchem17152,acmc-1bxzo,3,3-dimethylcyclohexene-6-one PubChem CID: 136839 IUPAC Name: 4,4-dimethylcyclohex-2-en-1-one SMILES: CC1(C)CCC(=O)C=C1

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Specifications

PubChem CID	136839
CAS	1073-13-8
Molecular Weight (g/mol)	124.18
MDL Number	MFCD00009695
SMILES	CC1(C)CCC(=O)C=C1
Synonym	4,4-dimethyl-2-cyclohexen-1-one,4,4-dimethylcyclohex-2-enone,2-cyclohexen-1-one, 4,4-dimethyl,4,4-dimethyl-2-cyclohexenone,4,4-dimethylcyclohexenone,4,4-dimethyl-2-cyclohexene-1-one,4,4-dimethyl-cyclohex-2-en-1-one,pubchem17152,acmc-1bxzo,3,3-dimethylcyclohexene-6-one
IUPAC Name	4,4-dimethylcyclohex-2-en-1-one
InChI Key	HAUNPYVLVAIUOO-UHFFFAOYSA-N
Molecular Formula	C8H12O

324

Riboflavin-5-phosphate, Sodium salt, MP Biomedicals™

CAS: 130-40-5 Molecular Formula: C17H21N4NaO9P Molecular Weight (g/mol): 479.34 MDL Number: MFCD00065362,MFCD00150992 InChI Key: WXEASYCOEACRIK-UHFFFAOYNA-N PubChem CID: 131673928 IUPAC Name: [(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl)oxy]phosphonic acid sodium SMILES: [Na].CC1=C(C)C=C2N(CC(O)C(O)C(O)COP(O)(O)=O)C3=NC(=O)NC(=O)C3=NC2=C1

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Specifications

PubChem CID	131673928
CAS	130-40-5
Molecular Weight (g/mol)	479.34
MDL Number	MFCD00065362,MFCD00150992
SMILES	[Na].CC1=C(C)C=C2N(CC(O)C(O)C(O)COP(O)(O)=O)C3=NC(=O)NC(=O)C3=NC2=C1
IUPAC Name	[(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl)oxy]phosphonic acid sodium
InChI Key	WXEASYCOEACRIK-UHFFFAOYNA-N
Molecular Formula	C17H21N4NaO9P

325

N-Benzyloxycarbonyl-L-glutamic acid 5-tert-butyl ester, 97%, Thermo Scientific Chemicals

CAS: 3886-08-6 Molecular Formula: C17H22NO6 Molecular Weight (g/mol): 336.37 MDL Number: MFCD00038274 InChI Key: GLMODRZPPBZPPB-ZDUSSCGKSA-M Synonym: z-glu otbu-oh,cbz-glu obut-oh,cbz-l-glu otbu-oh,s-2-benzyloxy carbonyl amino-5-tert-butoxy-5-oxopentanoic acid,n-cbz-l-glutamic acid 5-tert-butyl ester,n-benzyloxycarbonyl-l-glutamic acid 5-tert-butyl ester,2s-2-benzyloxy carbonyl amino-5-tert-butoxy-5-oxopentanoic acid,2s-4-tert-butyl oxycarbonyl-2-phenylmethoxy carbonylamino butanoic acid,5-tert-butyl n-carbobenzoxy-l-glutamate,pubchem6261 PubChem CID: 107472 IUPAC Name: (2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid SMILES: CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	107472
CAS	3886-08-6
Molecular Weight (g/mol)	336.37
MDL Number	MFCD00038274
SMILES	CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OCC1=CC=CC=C1
Synonym	z-glu otbu-oh,cbz-glu obut-oh,cbz-l-glu otbu-oh,s-2-benzyloxy carbonyl amino-5-tert-butoxy-5-oxopentanoic acid,n-cbz-l-glutamic acid 5-tert-butyl ester,n-benzyloxycarbonyl-l-glutamic acid 5-tert-butyl ester,2s-2-benzyloxy carbonyl amino-5-tert-butoxy-5-oxopentanoic acid,2s-4-tert-butyl oxycarbonyl-2-phenylmethoxy carbonylamino butanoic acid,5-tert-butyl n-carbobenzoxy-l-glutamate,pubchem6261
IUPAC Name	(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
InChI Key	GLMODRZPPBZPPB-ZDUSSCGKSA-M
Molecular Formula	C17H22NO6

326

1,3-Cyclohexanedione, 97%

CAS: 504-02-9 Molecular Formula: C₆H₈O₂ Molecular Weight (g/mol): 112.13 MDL Number: MFCD00001585 InChI Key: HJSLFCCWAKVHIW-UHFFFAOYSA-N Synonym: 1,3-cyclohexanedione,dihydroresorcinol,1,3-cyclohexandione,1,3 cyclohexanedione,hydroresorcinol,resorcinol, dihydro,1,3-cyclohexanone,unii-6uk3d2bxjt,1,3-benzenediol, dihydro,1,3-cyclohexane dione PubChem CID: 10434 ChEBI: CHEBI:17766 IUPAC Name: cyclohexane-1,3-dione SMILES: C1CC(=O)CC(=O)C1

Pricing & Availability
Specifications

PubChem CID	10434
CAS	504-02-9
Molecular Weight (g/mol)	112.13
ChEBI	CHEBI:17766
MDL Number	MFCD00001585
SMILES	C1CC(=O)CC(=O)C1
Synonym	1,3-cyclohexanedione,dihydroresorcinol,1,3-cyclohexandione,1,3 cyclohexanedione,hydroresorcinol,resorcinol, dihydro,1,3-cyclohexanone,unii-6uk3d2bxjt,1,3-benzenediol, dihydro,1,3-cyclohexane dione
IUPAC Name	cyclohexane-1,3-dione
InChI Key	HJSLFCCWAKVHIW-UHFFFAOYSA-N
Molecular Formula	C₆H₈O₂

327

2,4,6-Trimethylpyrylium tetrafluoroborate, 98+%

CAS: 773-01-3 Molecular Formula: C8H11BF4O Molecular Weight (g/mol): 209.98 MDL Number: MFCD00032098 InChI Key: PYOPRIFMELCENN-UHFFFAOYSA-N Synonym: 2,4,6-trimethylpyrylium tetrafluoroborate,2,4,6-trimethyl-1??-pyran-1-ylium tetrafluoroborate,2,4,6-trimethylpyrylium tetrafluoborate,2,4,6-trimethylpyryliumtetrafluoroborate,pyrylium, 2,4,6-trimethyl-, tetrafluoroborate 1-,pyrylium, 2,4,6-trimethyl-, tetrafluoroborate 1-1:1,2,4,6-trimethyl-1$l^ 4-pyran-1-ylium tetrafluoroborate PubChem CID: 164732 IUPAC Name: 2,4,6-trimethylpyrylium;tetrafluoroborate SMILES: F[B-](F)(F)F.CC1=CC(C)=[O+]C(C)=C1

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Specifications

PubChem CID	164732
CAS	773-01-3
Molecular Weight (g/mol)	209.98
MDL Number	MFCD00032098
SMILES	F[B-](F)(F)F.CC1=CC(C)=[O+]C(C)=C1
Synonym	2,4,6-trimethylpyrylium tetrafluoroborate,2,4,6-trimethyl-1??-pyran-1-ylium tetrafluoroborate,2,4,6-trimethylpyrylium tetrafluoborate,2,4,6-trimethylpyryliumtetrafluoroborate,pyrylium, 2,4,6-trimethyl-, tetrafluoroborate 1-,pyrylium, 2,4,6-trimethyl-, tetrafluoroborate 1-1:1,2,4,6-trimethyl-1$l^ 4-pyran-1-ylium tetrafluoroborate
IUPAC Name	2,4,6-trimethylpyrylium;tetrafluoroborate
InChI Key	PYOPRIFMELCENN-UHFFFAOYSA-N
Molecular Formula	C8H11BF4O

328

Thermo Scientific™ 2-Methyl-1,3-propanediol, 98+%

CAS: 2163-42-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00082586 InChI Key: QWGRWMMWNDWRQN-UHFFFAOYSA-N Synonym: Methylpropanediol; IUPAC Name: 2-methylpropane-1,3-diol SMILES: CC(CO)CO

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Specifications

CAS	2163-42-0
Molecular Weight (g/mol)	90.12
MDL Number	MFCD00082586
SMILES	CC(CO)CO
Synonym	Methylpropanediol;
IUPAC Name	2-methylpropane-1,3-diol
InChI Key	QWGRWMMWNDWRQN-UHFFFAOYSA-N
Molecular Formula	C4H10O2

329

Hydrogen hexachloroiridate(IV) hexahydrate, approx. 40% Iridium

CAS: 16941-92-7 Molecular Formula: H₂Cl₆Ir·₆H₂O Molecular Weight (g/mol): 515.02 MDL Number: MFCD00149907 Synonym: Chloroiridic acid

Pricing & Availability
Specifications

CAS	16941-92-7
Molecular Weight (g/mol)	515.02
MDL Number	MFCD00149907
Synonym	Chloroiridic acid
Molecular Formula	H₂Cl₆Ir·₆H₂O

330

Doxycycline Hyclate USP MP Biomedicals

CAS: 24390-14-5 Molecular Formula: C26H41ClN2O12 Molecular Weight (g/mol): 609.066 InChI Key: ISZOFWGVNMFENH-YDLUHMIOSA-N Synonym: doryx,doxycycline hyclate,doxycycline, hydrochloride, hemiethanolate, hemihydrate; PubChem CID: 131676157 IUPAC Name: (4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;dihydrate;hydrochloride SMILES: CCO.CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.O.Cl

Pricing & Availability
Specifications

PubChem CID	131676157
CAS	24390-14-5
Molecular Weight (g/mol)	609.066
SMILES	CCO.CCO.CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.O.O.Cl
Synonym	doryx,doxycycline hyclate,doxycycline, hydrochloride, hemiethanolate, hemihydrate;
IUPAC Name	(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;ethanol;dihydrate;hydrochloride
InChI Key	ISZOFWGVNMFENH-YDLUHMIOSA-N
Molecular Formula	C26H41ClN2O12

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