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Basic information
- CAS
143396-05-8- Standard SMILES
C[C@@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21- InChIKey
ZUPHXNBLQCSEIA-CPCISQLKSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, cis-
- IUPAC
- (1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
- English name
- (1S,3S)-2,3,4,9-TETRAHYDRO-1-METHYL-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID
- Molecular formula
- C13H14N2O2
- Molecular weight
- 230.26
Names & synonyms
Y0QOR92AH5143396-05-82,3,4,9-Tetrahydro-1-methyl-1H-pyrido(3,4-b)indole-3-carboxylic acid, cis-1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1R,3R)-rel-RefChem:10585321H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, cis-40678-46-4(1S,3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid(1S,3S)-2,3,4,9-TETRAHYDRO-1-METHYL-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1S-cis)-(1S,3S)-1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acidCHEMBL1811964
Show more names
1-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid(-)-(1S,3S)-MTCA(1S,3S)-Tryptophan EP Impurity I(1S,3S)-1-Methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid(1S,3S)- 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl-, (1S,3S)-
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- Melting point
- 290 · 290-293 °C
- Boiling point
- 488 · 488.0±45.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- 2.29 · 2.29±0.40(Predicted)
- FDA UNII
- 84 V68I4J8Y · 84V68I4J8Y
Chemistry & industry
Suppliers10 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西伊坤特医药科技有限公司18049260030 18049260030 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
天津市世铭宏德生物科技有限公司18649029353 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
1 records
Compound notes
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