Dorastine
Basic information
- CAS
21228-13-7- Standard SMILES
Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1- InChIKey
WCTGYFWVYBPRGF-UHFFFAOYSA-N- Molecular formula
- C20H22ClN3
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.15022538
Names & identifiers
- Preferred name
- Dorastine
- IUPAC
- 8-chloro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
- English name
- Dorastine
- Molecular formula
- C20H22ClN3
- Molecular weight
- 339.86
Names & synonyms
Dorastine21228-13-7Dorastine [INN]DTXSID9057682NSC-3067263087NKH40AUNII-3087NKH40ADTXCID0031471NSC 3067261H-PYRIDO(4,3-B)INDOLE, 8-CHLORO-2,3,4,5-TETRAHYDRO-2-METHYL-5-(2-(6-METHYL-3-PYRIDINYL)ETHYL-8-CHLORO-2,3,4,5-TETRAHYDRO-2-METHYL-5-(2-(6-METHYL-3-PYRIDIYL)ETHYL)-1H-PYRIDO(4,3-B)INDOLERefChem:135661
Show more names
Dorastine HClDorastine ISO 9001：2015 REACH8-Chloro-2,3,4,5-tetrahydro-2-methyl-5-[2-(6-methyl-3-pyridyl)ethyl]-1H-pyrido[4,3-b]indole8-Chloro-2,3,4,5-tetrahydro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-1H-pyrido[4,3-b]indole1H-Pyrido[4,3-b]indole, 8-chloro-2,3,4,5-tetrahydro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-
8-chloro-2-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indoleDorastinaSCHEMBL3116611CHEMBL2110839SCHEMBL29387736WCTGYFWVYBPRGF-UHFFFAOYSA-NTox21_113845NSC306726
Database identifiers
- CAS
21228-13-7- PubChem CID
- 30530
- DTXSID
DTXSID9057682- ChEMBL
CHEMBL2110839- UNII
- 3087NKH40A
- Nikkaji
- J12.819H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- FDA UNII
- 3087 NKH40A · 3087NKH40A
Chemistry & industry
Applications
UsesAntihistaminic.
Related reactions
5 records
Compound notes
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