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Basic information
- CAS
145438-94-4- Standard SMILES
O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1- InChIKey
CQYBNXGHMBNGCG-CSMHCCOUSA-N- Molecular formula
- C9H15NO2
- Average molar mass
- 169.22 g/mol
- Monoisotopic mass
- 169.11027872
Names & identifiers
- Preferred name
- (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylic acid
- IUPAC
- (2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
Names & synonyms
145438-94-4(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid1H-Indole-2-carboxylic acid, octahydro-, (2S,3aR,7aS)-(2S,3AR,7AS)-OCTAHYDRO-INDOLE-2-CARBOXYLIC ACIDDTXSID30427049RefChem:207062DTXCID80377883Octahydroindol-2-carboxylic acid (rac. 7aR/3aS/2R, 7aS/3aR/2S)604-474-5(2S,3aR,7aS)-Octahydroindole-2-carboxylic acid87679-58-1rel-(2S,3aR,7aS)-Octahydroindole-2-carboxylic Acid
Show more names
(2S,3AR,7aS)-rel-octahydro-1H-indole-2-carboxylic acidMFCD09952530(2S,3AR,7aS)-rel-octahydro-1H- indole-2-carboxylic acid(2S,3ar,7as)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid(2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylatePerindopril Impurity 36L-Octahydroindole-2-carboxylic acidrel-(2S,3aR,7aS)-Octahydroindole-2-carboxylic Acid (~90%, contains cis)
Database identifiers
- CAS
145438-94-4- PubChem CID
- 7018901
- DTXSID
DTXSID30427049- EC Number
- 604-474-5
- Nikkaji
- J532.161A
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Chemistry & industry
Suppliers18 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
湖北鑫鸣泰化学有限公司177-7179-1433 17771741533 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Related reactions
3 records
Compound notes
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