Organic acids and derivatives
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Thermo Scientific Chemicals Tamoxifen citrate, 98%
CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N Synonym: tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen PubChem CID: 2733525 ChEBI: CHEBI:9397 IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733525 |
|---|---|
| CAS | 54965-24-1 |
| Molecular Weight (g/mol) | 563.65 |
| ChEBI | CHEBI:9397 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| Synonym | tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen |
| IUPAC Name | 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |
ethyle2-amino-4-methylthiophene-3-carboxylate, 97%, Thermo Scientific™
CAS: 43088-42-2 Molecular Formula: C8H11NO2S Molecular Weight (g/mol): 185.241 MDL Number: MFCD00051669 InChI Key: ILYCZKOBLRJJSW-UHFFFAOYSA-N Synonym: 2-amino-4-methylthiophene-3-carboxylic acid ethyl ester,2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl ester,ethyl2-amino-4-methylthiophene-3-carboxylate,ethyl 2-amino-4-methyl-3-thiophenecarboxylate,acmc-20a9ux,maybridge1_003755,2-amino-4-methyl-3-ethoxycarbonyl-thiophene,ethyl 2-amino4-methylthiophene-3-carboxylate,2-amino-3-ethoxycarbonyl-4-methylthiophene PubChem CID: 521132 IUPAC Name: ethyl 2-amino-4-methylthiophene-3-carboxylate SMILES: CCOC(=O)C1=C(SC=C1C)N
| PubChem CID | 521132 |
|---|---|
| CAS | 43088-42-2 |
| Molecular Weight (g/mol) | 185.241 |
| MDL Number | MFCD00051669 |
| SMILES | CCOC(=O)C1=C(SC=C1C)N |
| Synonym | 2-amino-4-methylthiophene-3-carboxylic acid ethyl ester,2-amino-4-methyl-thiophene-3-carboxylic acid ethyl ester,3-thiophenecarboxylic acid, 2-amino-4-methyl-, ethyl ester,ethyl2-amino-4-methylthiophene-3-carboxylate,ethyl 2-amino-4-methyl-3-thiophenecarboxylate,acmc-20a9ux,maybridge1_003755,2-amino-4-methyl-3-ethoxycarbonyl-thiophene,ethyl 2-amino4-methylthiophene-3-carboxylate,2-amino-3-ethoxycarbonyl-4-methylthiophene |
| IUPAC Name | ethyl 2-amino-4-methylthiophene-3-carboxylate |
| InChI Key | ILYCZKOBLRJJSW-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2S |
n-Butyl L-lactate, 97+%
CAS: 34451-19-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519,MFCD00066454 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N PubChem CID: 6999977 IUPAC Name: butyl (2S)-2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O
| PubChem CID | 6999977 |
|---|---|
| CAS | 34451-19-9 |
| Molecular Weight (g/mol) | 146.19 |
| MDL Number | MFCD00004519,MFCD00066454 |
| SMILES | CCCCOC(=O)C(C)O |
| IUPAC Name | butyl (2S)-2-hydroxypropanoate |
| InChI Key | MRABAEUHTLLEML-UHFFFAOYNA-N |
| Molecular Formula | C7H14O3 |
LiChropur™ Sodium 1-pentanesulfonate monohydrate , ≥99.0% (T), MilliporeSigma™ Supelco™
MDL Number: MFCD00149548 Synonym: 1-Pentanesulfonic acid sodium salt
| MDL Number | MFCD00149548 |
|---|---|
| Synonym | 1-Pentanesulfonic acid sodium salt |
| MDL Number | MFCD00002762 |
|---|
Methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate, 97%, Thermo Scientific™
CAS: 96232-71-2 Molecular Formula: C6H4Br2O3S Molecular Weight (g/mol): 315.96 MDL Number: MFCD00052082 InChI Key: YZPNGCXFJCPJSV-XQRVVYSFSA-N Synonym: methyl4,5-dibromo-3-hydroxythiophene-2-carboxylate,4,5-dibromo-3-hydroxythiophene-2-carboxylic acid methyl ester,2z-4,5-dibromo-2-hydroxy methoxy methylidene thiophen-3-one,acmc-20akgp,maybridge1_003706,methyl 4,5-dibromo-3-hydroxy-2-thiophenecarboxylate,4,5-dibromo-2-hydroxy methoxy methylidene thiophen-3-one,methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylat,2-thiophenecarboxylicacid,4,5-dibromo-3-hydroxy-,methyl ester,2e-4,5-dibromo-2-hydroxy methoxy methylidene thiophen-3-one PubChem CID: 2777613 IUPAC Name: methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate SMILES: CO\C(O)=C1/SC(Br)=C(Br)C1=O
| PubChem CID | 2777613 |
|---|---|
| CAS | 96232-71-2 |
| Molecular Weight (g/mol) | 315.96 |
| MDL Number | MFCD00052082 |
| SMILES | CO\C(O)=C1/SC(Br)=C(Br)C1=O |
| Synonym | methyl4,5-dibromo-3-hydroxythiophene-2-carboxylate,4,5-dibromo-3-hydroxythiophene-2-carboxylic acid methyl ester,2z-4,5-dibromo-2-hydroxy methoxy methylidene thiophen-3-one,acmc-20akgp,maybridge1_003706,methyl 4,5-dibromo-3-hydroxy-2-thiophenecarboxylate,4,5-dibromo-2-hydroxy methoxy methylidene thiophen-3-one,methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylat,2-thiophenecarboxylicacid,4,5-dibromo-3-hydroxy-,methyl ester,2e-4,5-dibromo-2-hydroxy methoxy methylidene thiophen-3-one |
| IUPAC Name | methyl 4,5-dibromo-3-hydroxythiophene-2-carboxylate |
| InChI Key | YZPNGCXFJCPJSV-XQRVVYSFSA-N |
| Molecular Formula | C6H4Br2O3S |
Quinoline-3-boronic acid, 97%
CAS: 191162-39-7 Molecular Formula: C9H8BNO2 Molecular Weight (g/mol): 172.98 MDL Number: MFCD02183527 InChI Key: YGDICLRMNDWZAK-UHFFFAOYSA-N Synonym: 3-quinolineboronic acid,quinoline-3-boronic acid,3-quinolinylboronic acid,3-quinolylboronic acid,quinolin-3-yl-3-boronic acid,3-quinoline boronic acid,3-quinolineboronic aid,quinolin-3-yl-boranediol,quinolin-3-yl boronic acid,boronic acid, 3-quinolinyl PubChem CID: 2734663 IUPAC Name: quinolin-3-ylboronic acid SMILES: OB(O)C1=CC2=CC=CC=C2N=C1
| PubChem CID | 2734663 |
|---|---|
| CAS | 191162-39-7 |
| Molecular Weight (g/mol) | 172.98 |
| MDL Number | MFCD02183527 |
| SMILES | OB(O)C1=CC2=CC=CC=C2N=C1 |
| Synonym | 3-quinolineboronic acid,quinoline-3-boronic acid,3-quinolinylboronic acid,3-quinolylboronic acid,quinolin-3-yl-3-boronic acid,3-quinoline boronic acid,3-quinolineboronic aid,quinolin-3-yl-boranediol,quinolin-3-yl boronic acid,boronic acid, 3-quinolinyl |
| IUPAC Name | quinolin-3-ylboronic acid |
| InChI Key | YGDICLRMNDWZAK-UHFFFAOYSA-N |
| Molecular Formula | C9H8BNO2 |
4-n-Nonylbenzeneboronic acid, 98+%
CAS: 256383-45-6 Molecular Formula: C15H25BO2 Molecular Weight (g/mol): 248.173 MDL Number: MFCD02093070 InChI Key: VONVJOGSLHAKOX-UHFFFAOYSA-N Synonym: 4-n-nonylphenylboronic acid,4-n-nonylbenzeneboronic acid,4-nonylphenyl boronic acid,4-n-nonylphenylboronicacid,4-nonylphenyl boranediol,d0f1ud,4-nonylbenzene boronic acid,b-4-nonylphenyl boronic acid,4-n-nonyl benzeneboronic acid,1-borono-4-non-1-yl benzene PubChem CID: 4589192 IUPAC Name: (4-nonylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)CCCCCCCCC)(O)O
| PubChem CID | 4589192 |
|---|---|
| CAS | 256383-45-6 |
| Molecular Weight (g/mol) | 248.173 |
| MDL Number | MFCD02093070 |
| SMILES | B(C1=CC=C(C=C1)CCCCCCCCC)(O)O |
| Synonym | 4-n-nonylphenylboronic acid,4-n-nonylbenzeneboronic acid,4-nonylphenyl boronic acid,4-n-nonylphenylboronicacid,4-nonylphenyl boranediol,d0f1ud,4-nonylbenzene boronic acid,b-4-nonylphenyl boronic acid,4-n-nonyl benzeneboronic acid,1-borono-4-non-1-yl benzene |
| IUPAC Name | (4-nonylphenyl)boronic acid |
| InChI Key | VONVJOGSLHAKOX-UHFFFAOYSA-N |
| Molecular Formula | C15H25BO2 |
3-[Bis(2-hydroxyethyl)amino]-2-hydroxypropanesulfonic acid, 99%
CAS: 68399-80-4 Molecular Formula: C7H17NO6S Molecular Weight (g/mol): 243.274 MDL Number: MFCD00038353 InChI Key: XCBLFURAFHFFJF-UHFFFAOYSA-N Synonym: dipso,3-bis 2-hydroxyethyl amino-2-hydroxypropane-1-sulfonic acid,3-n,n-bis 2-hydroxyethyl amino-2-hydroxypropanesulfonic acid,3-n,n-bis 2-hydroxyethyl amino-2-hydroxy-1-propanesulfonic acid,1-propanesulfonic acid, 3-bis 2-hydroxyethyl amino-2-hydroxy,3-bis 2-hydroxyethyl amino-2-hydroxypropanesulfonic acid,3-bis 2-hydroxyethyl amino-2-hydroxy-1-propanesulfonic acid,n,n-bis 2-hydroxyethyl-3-amino-2-hydroxypropanesulfonic acid PubChem CID: 100210 IUPAC Name: 3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid SMILES: C(CO)N(CCO)CC(CS(=O)(=O)O)O
| PubChem CID | 100210 |
|---|---|
| CAS | 68399-80-4 |
| Molecular Weight (g/mol) | 243.274 |
| MDL Number | MFCD00038353 |
| SMILES | C(CO)N(CCO)CC(CS(=O)(=O)O)O |
| Synonym | dipso,3-bis 2-hydroxyethyl amino-2-hydroxypropane-1-sulfonic acid,3-n,n-bis 2-hydroxyethyl amino-2-hydroxypropanesulfonic acid,3-n,n-bis 2-hydroxyethyl amino-2-hydroxy-1-propanesulfonic acid,1-propanesulfonic acid, 3-bis 2-hydroxyethyl amino-2-hydroxy,3-bis 2-hydroxyethyl amino-2-hydroxypropanesulfonic acid,3-bis 2-hydroxyethyl amino-2-hydroxy-1-propanesulfonic acid,n,n-bis 2-hydroxyethyl-3-amino-2-hydroxypropanesulfonic acid |
| IUPAC Name | 3-[bis(2-hydroxyethyl)amino]-2-hydroxypropane-1-sulfonic acid |
| InChI Key | XCBLFURAFHFFJF-UHFFFAOYSA-N |
| Molecular Formula | C7H17NO6S |
tert-Butyl propiolate, 98%
CAS: 13831-03-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00060100 InChI Key: XGTPDIIFEPTULX-UHFFFAOYSA-N Synonym: tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # PubChem CID: 543038 IUPAC Name: tert-butyl prop-2-ynoate SMILES: CC(C)(C)OC(=O)C#C
| PubChem CID | 543038 |
|---|---|
| CAS | 13831-03-3 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00060100 |
| SMILES | CC(C)(C)OC(=O)C#C |
| Synonym | tert-butyl propiolate,propiolic acid tert-butyl ester,t-butyl propiolate,2-propynoic acid, 1,1-dimethylethyl ester,boc-acetylene,tert-butyl propalate,tert-butyl propargylate,acmc-209chj,tert-butyl propiolate # |
| IUPAC Name | tert-butyl prop-2-ynoate |
| InChI Key | XGTPDIIFEPTULX-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
p-Tolylacetic acid, 99%
CAS: 622-47-9 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004353 InChI Key: GXXXUZIRGXYDFP-UHFFFAOYSA-N Synonym: p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid PubChem CID: 248474 IUPAC Name: 2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)CC(=O)O
| PubChem CID | 248474 |
|---|---|
| CAS | 622-47-9 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00004353 |
| SMILES | CC1=CC=C(C=C1)CC(=O)O |
| Synonym | p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid |
| IUPAC Name | 2-(4-methylphenyl)acetic acid |
| InChI Key | GXXXUZIRGXYDFP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
m-Toluenesulfonic acid monohydrate, 97%
CAS: 312619-56-0 Molecular Formula: C7H10O4S Molecular Weight (g/mol): 190.213 MDL Number: MFCD00167130 InChI Key: GHLYGGIKYFLYTH-UHFFFAOYSA-N Synonym: 3-methylbenzenesulfonic acid hydrate,m-toluenesulfonic acid monohydrate,m-toluenesulfonic acid hydrate,acmc-20akdl,m-toluenesulfonic acid 1-hydrate,3-toluenesulfonic acid 1-hydrate,3-methylbenzenesulfonic acid hydrate 1:x,benzenesulfonicacid, 3-methyl-, hydrate 1:1 PubChem CID: 53249652 IUPAC Name: 3-methylbenzenesulfonic acid;hydrate SMILES: CC1=CC(=CC=C1)S(=O)(=O)O.O
| PubChem CID | 53249652 |
|---|---|
| CAS | 312619-56-0 |
| Molecular Weight (g/mol) | 190.213 |
| MDL Number | MFCD00167130 |
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)O.O |
| Synonym | 3-methylbenzenesulfonic acid hydrate,m-toluenesulfonic acid monohydrate,m-toluenesulfonic acid hydrate,acmc-20akdl,m-toluenesulfonic acid 1-hydrate,3-toluenesulfonic acid 1-hydrate,3-methylbenzenesulfonic acid hydrate 1:x,benzenesulfonicacid, 3-methyl-, hydrate 1:1 |
| IUPAC Name | 3-methylbenzenesulfonic acid;hydrate |
| InChI Key | GHLYGGIKYFLYTH-UHFFFAOYSA-N |
| Molecular Formula | C7H10O4S |
Sodium Potassium Tartrate, Tetrahydrate, Granular, FCC, 99-102%, Spectrum™ Chemical
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CAS: 6381-59-5 Molecular Formula: C4H12KNaO10 Molecular Weight (g/mol): 282.22 InChI Key: VZOPRCCTKLAGPN-ZFJVMAEJSA-L IUPAC Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate SMILES: O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6381-59-5 |
|---|---|
| Molecular Weight (g/mol) | 282.22 |
| SMILES | O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate |
| InChI Key | VZOPRCCTKLAGPN-ZFJVMAEJSA-L |
| Molecular Formula | C4H12KNaO10 |
Propionic Acid Hemicalcium Salt, MP Biomedicals™
CAS: 4075-81-4 Molecular Formula: C6H10CaO4 Molecular Weight (g/mol): 186.22 MDL Number: MFCD00167354 InChI Key: BCZXFFBUYPCTSJ-UHFFFAOYSA-L Synonym: calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 PubChem CID: 19999 ChEBI: CHEBI:81716 IUPAC Name: calcium dipropanoate SMILES: [Ca++].CCC([O-])=O.CCC([O-])=O
| PubChem CID | 19999 |
|---|---|
| CAS | 4075-81-4 |
| Molecular Weight (g/mol) | 186.22 |
| ChEBI | CHEBI:81716 |
| MDL Number | MFCD00167354 |
| SMILES | [Ca++].CCC([O-])=O.CCC([O-])=O |
| Synonym | calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 |
| IUPAC Name | calcium dipropanoate |
| InChI Key | BCZXFFBUYPCTSJ-UHFFFAOYSA-L |
| Molecular Formula | C6H10CaO4 |
6-Bromoquinazoline-2,4(1H,3H)-dione, 97%
CAS: 88145-89-5 Molecular Formula: C8H5BrN2O2 Molecular Weight (g/mol): 241.044 MDL Number: MFCD00462868 InChI Key: JZDVFUAHGLJVQG-UHFFFAOYSA-N Synonym: 6-bromoquinazoline-2,4 1h,3h-dione,6-bromo-2,4 1h,3h-quinazolinedione,6-bromoquinazoline-2,4-dione,6-bromoquinazoline-2,4-diol,2,4 1h,3h-quinazolinedione, 6-bromo,6-bromo-1,3-dihydroquinazoline-2,4-dione,6-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione,bromoquinazolinedione,pubchem20961,acmc-209qre PubChem CID: 617686 IUPAC Name: 6-bromo-1H-quinazoline-2,4-dione SMILES: C1=CC2=C(C=C1Br)C(=O)NC(=O)N2
| PubChem CID | 617686 |
|---|---|
| CAS | 88145-89-5 |
| Molecular Weight (g/mol) | 241.044 |
| MDL Number | MFCD00462868 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)NC(=O)N2 |
| Synonym | 6-bromoquinazoline-2,4 1h,3h-dione,6-bromo-2,4 1h,3h-quinazolinedione,6-bromoquinazoline-2,4-dione,6-bromoquinazoline-2,4-diol,2,4 1h,3h-quinazolinedione, 6-bromo,6-bromo-1,3-dihydroquinazoline-2,4-dione,6-bromo-1,2,3,4-tetrahydroquinazoline-2,4-dione,bromoquinazolinedione,pubchem20961,acmc-209qre |
| IUPAC Name | 6-bromo-1H-quinazoline-2,4-dione |
| InChI Key | JZDVFUAHGLJVQG-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrN2O2 |