Organic acids and derivatives
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Sodium Ibandronate 90.0+%, TCI America™
CAS: 138844-81-2 Molecular Formula: C9H22NNaO7P2 Molecular Weight (g/mol): 341.21 MDL Number: MFCD07197214 InChI Key: LXLBEOAZMZAZND-UHFFFAOYNA-M Synonym: ibandronate sodium,bondronat,boniva,ibandronate sodium salt,sodium ibandronate,1-hydroxy-3-methylpentylamino propylidene bisphosphonic acid sodium,phosphonic acid, 1-hydroxy-3-methylpentylamino propylidene bis-, monosodium salt,sodiumibandronate,ibandronic acid sodium salt PubChem CID: 23670359 IUPAC Name: sodium hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate SMILES: [Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O
| PubChem CID | 23670359 |
|---|---|
| CAS | 138844-81-2 |
| Molecular Weight (g/mol) | 341.21 |
| MDL Number | MFCD07197214 |
| SMILES | [Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O |
| Synonym | ibandronate sodium,bondronat,boniva,ibandronate sodium salt,sodium ibandronate,1-hydroxy-3-methylpentylamino propylidene bisphosphonic acid sodium,phosphonic acid, 1-hydroxy-3-methylpentylamino propylidene bis-, monosodium salt,sodiumibandronate,ibandronic acid sodium salt |
| IUPAC Name | sodium hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate |
| InChI Key | LXLBEOAZMZAZND-UHFFFAOYNA-M |
| Molecular Formula | C9H22NNaO7P2 |
Ethyl Acetate 99.5+%, TCI America™
CAS: 141-78-6 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00009171 InChI Key: XEKOWRVHYACXOJ-UHFFFAOYSA-N Synonym: ethyl ethanoate,acetoxyethane,acetic acid ethyl ester,acetic ether,ethyl acetic ester,vinegar naphtha,acetic acid, ethyl ester,ethylacetate,acetidin,acetic ester PubChem CID: 8857 ChEBI: CHEBI:27750 IUPAC Name: ethyl acetate SMILES: CCOC(=O)C
| PubChem CID | 8857 |
|---|---|
| CAS | 141-78-6 |
| Molecular Weight (g/mol) | 88.106 |
| ChEBI | CHEBI:27750 |
| MDL Number | MFCD00009171 |
| SMILES | CCOC(=O)C |
| Synonym | ethyl ethanoate,acetoxyethane,acetic acid ethyl ester,acetic ether,ethyl acetic ester,vinegar naphtha,acetic acid, ethyl ester,ethylacetate,acetidin,acetic ester |
| IUPAC Name | ethyl acetate |
| InChI Key | XEKOWRVHYACXOJ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
1-Allylhydantoin 98.0+%, TCI America™
CAS: 3366-93-6 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00142580 InChI Key: KPDTTZWHFZUVCL-UHFFFAOYSA-N PubChem CID: 22020924 IUPAC Name: 1-prop-2-enylimidazolidine-2,4-dione SMILES: C=CCN1CC(=O)NC1=O
| PubChem CID | 22020924 |
|---|---|
| CAS | 3366-93-6 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD00142580 |
| SMILES | C=CCN1CC(=O)NC1=O |
| IUPAC Name | 1-prop-2-enylimidazolidine-2,4-dione |
| InChI Key | KPDTTZWHFZUVCL-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Spironolactone 98.0+%, TCI America™
CAS: 52-01-7 Molecular Formula: C24H32O4S Molecular Weight (g/mol): 416.576 MDL Number: MFCD00082250 InChI Key: LXMSZDCAJNLERA-ZHYRCANASA-N Synonym: spironolactone,aldactone,spirolactone,verospiron,euteberol,spiroctan,spirolang,verospirone,aldactone a,spironocompren PubChem CID: 5833 ChEBI: CHEBI:9241 IUPAC Name: S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate SMILES: CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C
| PubChem CID | 5833 |
|---|---|
| CAS | 52-01-7 |
| Molecular Weight (g/mol) | 416.576 |
| ChEBI | CHEBI:9241 |
| MDL Number | MFCD00082250 |
| SMILES | CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C |
| Synonym | spironolactone,aldactone,spirolactone,verospiron,euteberol,spiroctan,spirolang,verospirone,aldactone a,spironocompren |
| IUPAC Name | S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate |
| InChI Key | LXMSZDCAJNLERA-ZHYRCANASA-N |
| Molecular Formula | C24H32O4S |
Acetohydroxamic Acid 98.0+%, TCI America™
CAS: 546-88-3 Molecular Formula: C2H5NO2 Molecular Weight (g/mol): 75.067 MDL Number: MFCD00009994 InChI Key: RRUDCFGSUDOHDG-UHFFFAOYSA-N Synonym: acetohydroxamic acid,methylhydroxamic acid,acetylhydroxamic acid,acetic acid, oxime,acetohydroximic acid,lithostat,n-acetylhydroxylamine,acetamide, n-hydroxy,acethydroxamsaure,acethydroxamsaeure PubChem CID: 1990 ChEBI: CHEBI:49029 IUPAC Name: N-hydroxyacetamide SMILES: CC(=O)NO
| PubChem CID | 1990 |
|---|---|
| CAS | 546-88-3 |
| Molecular Weight (g/mol) | 75.067 |
| ChEBI | CHEBI:49029 |
| MDL Number | MFCD00009994 |
| SMILES | CC(=O)NO |
| Synonym | acetohydroxamic acid,methylhydroxamic acid,acetylhydroxamic acid,acetic acid, oxime,acetohydroximic acid,lithostat,n-acetylhydroxylamine,acetamide, n-hydroxy,acethydroxamsaure,acethydroxamsaeure |
| IUPAC Name | N-hydroxyacetamide |
| InChI Key | RRUDCFGSUDOHDG-UHFFFAOYSA-N |
| Molecular Formula | C2H5NO2 |
Valeramide 98.0+%, TCI America™
CAS: 626-97-1 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00041895 InChI Key: IPWFJLQDVFKJDU-UHFFFAOYSA-N Synonym: valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard PubChem CID: 12298 ChEBI: CHEBI:16459 IUPAC Name: pentanamide SMILES: CCCCC(=O)N
| PubChem CID | 12298 |
|---|---|
| CAS | 626-97-1 |
| Molecular Weight (g/mol) | 101.149 |
| ChEBI | CHEBI:16459 |
| MDL Number | MFCD00041895 |
| SMILES | CCCCC(=O)N |
| Synonym | valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard |
| IUPAC Name | pentanamide |
| InChI Key | IPWFJLQDVFKJDU-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Isoamyl Angelate 99.0+%, TCI America™
CAS: 10482-55-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00213789 InChI Key: ZARFDQHJMNVNLE-UITAMQMPSA-N Synonym: Angelic Acid Isoamyl Ester, Isoamyl (Z)-2-Methyl-2-butenoate, (Z)-2-Methyl-2-butenoic Acid Isoamyl Ester PubChem CID: 5366155 IUPAC Name: 3-methylbutyl (2Z)-2-methylbut-2-enoate SMILES: C\C=C(\C)C(=O)OCCC(C)C
| PubChem CID | 5366155 |
|---|---|
| CAS | 10482-55-0 |
| Molecular Weight (g/mol) | 170.25 |
| MDL Number | MFCD00213789 |
| SMILES | C\C=C(\C)C(=O)OCCC(C)C |
| Synonym | Angelic Acid Isoamyl Ester, Isoamyl (Z)-2-Methyl-2-butenoate, (Z)-2-Methyl-2-butenoic Acid Isoamyl Ester |
| IUPAC Name | 3-methylbutyl (2Z)-2-methylbut-2-enoate |
| InChI Key | ZARFDQHJMNVNLE-UITAMQMPSA-N |
| Molecular Formula | C10H18O2 |
Methyl Angelate 97.0+%, TCI America™
CAS: 5953-76-4 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00063645 InChI Key: YYJWBYNQJLBIGS-PLNGDYQASA-N Synonym: Angelic Acid Methyl Ester, (Z)-2-Methyl-2-butenoic Acid Methyl Ester, 2-Methylisocrotonic Acid Methyl Ester, Methyl (Z)-2-Methyl-2-butenoate, Methyl 2-Methylisocrotonate PubChem CID: 5356352 IUPAC Name: methyl (Z)-2-methylbut-2-enoate SMILES: CC=C(C)C(=O)OC
| PubChem CID | 5356352 |
|---|---|
| CAS | 5953-76-4 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00063645 |
| SMILES | CC=C(C)C(=O)OC |
| Synonym | Angelic Acid Methyl Ester, (Z)-2-Methyl-2-butenoic Acid Methyl Ester, 2-Methylisocrotonic Acid Methyl Ester, Methyl (Z)-2-Methyl-2-butenoate, Methyl 2-Methylisocrotonate |
| IUPAC Name | methyl (Z)-2-methylbut-2-enoate |
| InChI Key | YYJWBYNQJLBIGS-PLNGDYQASA-N |
| Molecular Formula | C6H10O2 |
Vinylene Carbonate (stabilized with BHT) 98.0+%, TCI America™
CAS: 872-36-6 Molecular Formula: C3H2O3 Molecular Weight (g/mol): 86.05 MDL Number: MFCD00005380 InChI Key: VAYTZRYEBVHVLE-UHFFFAOYSA-N Synonym: vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 PubChem CID: 13385 IUPAC Name: 2H-1,3-dioxol-2-one SMILES: O=C1OC=CO1
| PubChem CID | 13385 |
|---|---|
| CAS | 872-36-6 |
| Molecular Weight (g/mol) | 86.05 |
| MDL Number | MFCD00005380 |
| SMILES | O=C1OC=CO1 |
| Synonym | vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 |
| IUPAC Name | 2H-1,3-dioxol-2-one |
| InChI Key | VAYTZRYEBVHVLE-UHFFFAOYSA-N |
| Molecular Formula | C3H2O3 |
m-Xylylenediphosphonic Acid 97.0+%, TCI America™
CAS: 144052-40-4 Molecular Formula: C8H12O6P2 Molecular Weight (g/mol): 266.126 MDL Number: MFCD22200402 InChI Key: PYWZCUXISXXGMI-UHFFFAOYSA-N PubChem CID: 19352865 IUPAC Name: [3-(phosphonomethyl)phenyl]methylphosphonic acid SMILES: C1=CC(=CC(=C1)CP(=O)(O)O)CP(=O)(O)O
| PubChem CID | 19352865 |
|---|---|
| CAS | 144052-40-4 |
| Molecular Weight (g/mol) | 266.126 |
| MDL Number | MFCD22200402 |
| SMILES | C1=CC(=CC(=C1)CP(=O)(O)O)CP(=O)(O)O |
| IUPAC Name | [3-(phosphonomethyl)phenyl]methylphosphonic acid |
| InChI Key | PYWZCUXISXXGMI-UHFFFAOYSA-N |
| Molecular Formula | C8H12O6P2 |
Aminomethanesulfonic Acid 97.0+%, TCI America™
CAS: 13881-91-9 Molecular Formula: CH5NO3S Molecular Weight (g/mol): 111.115 MDL Number: MFCD00008124 InChI Key: OBESRABRARNZJB-UHFFFAOYSA-N Synonym: methanesulfonic acid, amino,aminomethanesulphonic acid,aminomethyl sulfonic acid,aminomethylsulfonic acid,unii-ola224z482,methanesulfonic acid, 1-amino,aminomethanesulfonicacid,sodium aminomethanesulphonate,aminomethanesulfonic,aminomethanesulfoniccid PubChem CID: 83791 IUPAC Name: aminomethanesulfonic acid SMILES: C(N)S(=O)(=O)O
| PubChem CID | 83791 |
|---|---|
| CAS | 13881-91-9 |
| Molecular Weight (g/mol) | 111.115 |
| MDL Number | MFCD00008124 |
| SMILES | C(N)S(=O)(=O)O |
| Synonym | methanesulfonic acid, amino,aminomethanesulphonic acid,aminomethyl sulfonic acid,aminomethylsulfonic acid,unii-ola224z482,methanesulfonic acid, 1-amino,aminomethanesulfonicacid,sodium aminomethanesulphonate,aminomethanesulfonic,aminomethanesulfoniccid |
| IUPAC Name | aminomethanesulfonic acid |
| InChI Key | OBESRABRARNZJB-UHFFFAOYSA-N |
| Molecular Formula | CH5NO3S |
N-Aminophthalimide 98.0+%, TCI America™
CAS: 1875-48-5 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00005895 InChI Key: KSILMCDYDAKOJD-UHFFFAOYSA-N Synonym: n-aminophthalimide,2-aminoisoindoline-1,3-dione,2-amino-1h-isoindole-1,3 2h-dione,phthalimide, n-amino,hydrazine, 1,1-phthaloyl,phthalhydrazide van,1h-isoindole-1,3 2h-dione, 2-amino,n-aminophthalamide,phthalocyclohydrazide van,ccris 5349 PubChem CID: 74645 IUPAC Name: 2-aminoisoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)N
| PubChem CID | 74645 |
|---|---|
| CAS | 1875-48-5 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00005895 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)N |
| Synonym | n-aminophthalimide,2-aminoisoindoline-1,3-dione,2-amino-1h-isoindole-1,3 2h-dione,phthalimide, n-amino,hydrazine, 1,1-phthaloyl,phthalhydrazide van,1h-isoindole-1,3 2h-dione, 2-amino,n-aminophthalamide,phthalocyclohydrazide van,ccris 5349 |
| IUPAC Name | 2-aminoisoindole-1,3-dione |
| InChI Key | KSILMCDYDAKOJD-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
ATBTA-Eu3+ 90.0+%, TCI America™
CAS: 601494-52-4 Molecular Formula: C37H30EuN6NaO8 Molecular Weight (g/mol): 861.64 MDL Number: MFCD10566875 InChI Key: WPJHPWPASHGOEZ-UHFFFAOYSA-J Synonym: Sodium [4′C-(4′C-Amino-4-biphenylyl)-2,2′C:6′C,2′C′C-terpyridine-6,6′C′C-diylbis(methyliminodiacetato)]europate(III) PubChem CID: 44629911 IUPAC Name: europium(3+) sodium 2-({[6-(4-{4'-amino-[1,1'-biphenyl]-4-yl}-6'-{[bis(carboxylatomethyl)amino]methyl}-[2,2'-bipyridin]-6-yl)pyridin-2-yl]methyl}(carboxylatomethyl)amino)acetate SMILES: [Na+].[Eu+3].NC1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC(=NC(=C1)C1=NC(CN(CC([O-])=O)CC([O-])=O)=CC=C1)C1=NC(CN(CC([O-])=O)CC([O-])=O)=CC=C1
| PubChem CID | 44629911 |
|---|---|
| CAS | 601494-52-4 |
| Molecular Weight (g/mol) | 861.64 |
| MDL Number | MFCD10566875 |
| SMILES | [Na+].[Eu+3].NC1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC(=NC(=C1)C1=NC(CN(CC([O-])=O)CC([O-])=O)=CC=C1)C1=NC(CN(CC([O-])=O)CC([O-])=O)=CC=C1 |
| Synonym | Sodium [4′C-(4′C-Amino-4-biphenylyl)-2,2′C:6′C,2′C′C-terpyridine-6,6′C′C-diylbis(methyliminodiacetato)]europate(III) |
| IUPAC Name | europium(3+) sodium 2-({[6-(4-{4'-amino-[1,1'-biphenyl]-4-yl}-6'-{[bis(carboxylatomethyl)amino]methyl}-[2,2'-bipyridin]-6-yl)pyridin-2-yl]methyl}(carboxylatomethyl)amino)acetate |
| InChI Key | WPJHPWPASHGOEZ-UHFFFAOYSA-J |
| Molecular Formula | C37H30EuN6NaO8 |
2-Naphthyl Acetate 98.0+%, TCI America™
CAS: 1523-11-1 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004060 InChI Key: RJNPPEUAJCEUPV-UHFFFAOYSA-N Synonym: 2-naphthyl acetate,2-acetoxynaphthalene,2-naphthalenol, acetate,beta-naphthyl acetate,2-naphthol, acetate,naphthalene, 2-acetoxy,2-naphthalenol, 2-acetate,.beta.-naphthol acetate,.beta.-naphthyl acetate,o-acetyl-.beta.-naphthol PubChem CID: 73709 IUPAC Name: naphthalen-2-yl acetate SMILES: CC(=O)OC1=CC=C2C=CC=CC2=C1
| PubChem CID | 73709 |
|---|---|
| CAS | 1523-11-1 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00004060 |
| SMILES | CC(=O)OC1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthyl acetate,2-acetoxynaphthalene,2-naphthalenol, acetate,beta-naphthyl acetate,2-naphthol, acetate,naphthalene, 2-acetoxy,2-naphthalenol, 2-acetate,.beta.-naphthol acetate,.beta.-naphthyl acetate,o-acetyl-.beta.-naphthol |
| IUPAC Name | naphthalen-2-yl acetate |
| InChI Key | RJNPPEUAJCEUPV-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Adipamide 98.0+%, TCI America™
CAS: 628-94-4 Molecular Formula: C6H12N2O2 Molecular Weight (g/mol): 144.174 MDL Number: MFCD00008045 InChI Key: GVNWZKBFMFUVNX-UHFFFAOYSA-N Synonym: adipamide,adipic diamide,adipic acid amide,adipic acid diamide,1,4-butanedicarboxamide,1,2-ethylenebisacetamide,unii-40dru033ow,ccris 5883,butane-1,4-dicarboxamide,hexanedioic diamide PubChem CID: 12364 IUPAC Name: hexanediamide SMILES: C(CCC(=O)N)CC(=O)N
| PubChem CID | 12364 |
|---|---|
| CAS | 628-94-4 |
| Molecular Weight (g/mol) | 144.174 |
| MDL Number | MFCD00008045 |
| SMILES | C(CCC(=O)N)CC(=O)N |
| Synonym | adipamide,adipic diamide,adipic acid amide,adipic acid diamide,1,4-butanedicarboxamide,1,2-ethylenebisacetamide,unii-40dru033ow,ccris 5883,butane-1,4-dicarboxamide,hexanedioic diamide |
| IUPAC Name | hexanediamide |
| InChI Key | GVNWZKBFMFUVNX-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O2 |