Basic information
- CAS
31386-25-1- Standard SMILES
Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCCN(C)C)cc12- InChIKey
YKWQHMLRAPIWDP-UHFFFAOYSA-N- Molecular formula
- C22H26N2O2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.19942808
Overview
Indocate is a small molecule drug. Indocate has a monoisotopic molecular weight of 350.2 Da.
Names & identifiers
- Preferred name
- Indocate
- IUPAC
- 2-(dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate
- English name
- Indocate
- Molecular formula
- C22H26N2O2
- Molecular weight
- 350.45
Names & synonyms
Indocate31386-25-1IndocatoIndocatumDTXSID604613778D9U89TBGDTXCID4026137RefChem:148177IndocarbIndocate [INN]2-(Dimethylamino)ethyl 1-benzyl-2,3-dimethylindole-5-carboxylate1H-Indole-5-carboxylic acid, 2,3-dimethyl-1-(phenylmethyl)-, 2-(dimethylamino)ethyl ester
Show more names
K-2812-dimethylaminoethyl 2,3-dimethyl-1-(phenylmethyl)indole-5-carboxylate1-(benzyl)-2,3-dimethyl-indole-5-carboxylic acid 2-dimethylaminoethyl ester1-Benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid 2-(dimethylamino)ethyl ester
NCGC00160412-012-(dimethylamino)ethyl 1-benzyl-2,3-dimethyl-1H-indole-5-carboxylateMLS000689026CAS-31386-25-1Indocatum [INN-Latin]Indocato [INN-Spanish]SMR000286252UNII-78D9U89TBG
Database identifiers
- CAS
31386-25-1- PubChem CID
- 65776
- DTXSID
DTXSID6046137
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 521.3 · 521.3±50.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 8.22 · 8.22±0.28(Predicted)
- FDA UNII
- 78 D9U89TBG · 78D9U89TBG
Chemistry & industry
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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