(+)-Evodiamine
Properties
- Molecular formula
- C19H17N3O
- Molar mass
- 303.37 g/mol
- Exact mass
- 303.1372 Da
- Melting point
- 278 °C
- logP
- 3.31Crippen estimate
- Polar surface area
- 39.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Identifiers
CAS number
518-17-2SMILES
CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21InChIKey
TXDUTHBFYKGSAH-SFHVURJKSA-NInChI
InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Indolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-
- Evodiamine
- Indolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-
- (13bS)-8,13,13b,14-Tetrahydro-14-methylindolo[2′,3′:3,4]pyrido[2,1-b]quinazolin-5(7H)-one
- Evodiamine, (+)-
- d-Evodiamine