Crinamine

HCID 73620

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Basic information

CAS: 639-41-8
Standard SMILES: CO[C@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5
InChIKey: YGPRSGKVLATIHT-SPOWBLRKSA-N
Molecular formula: C17H19NO4
Average molar mass: 301.34 g/mol
Monoisotopic mass: 301.13140809

Overview

Crinamine is an alkaloid.

Names & identifiers

Preferred name: Crinamine
IUPAC: (1S,13S,15R,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol

Names & synonyms

Crinamine639-41-8DTXSID701318712RefChem:919187DTXCID40174851215-methoxy-5,7-dioxa-12-azapentacyclo(10.5.2.01,13.02,10.04,8)nonadeca-2,4(8),9,16-tetraen-18-olCrinaminCHEBI:3914CHEMBL516991(+)-crinamine(1S,13S,15R,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-ol(3R,4aS,5S,11bS,12R)-3-Methoxy-3,4,4a,6-tetrahydro-11b,5-ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol

Show more names

NSC 88421SCHEMBL29633901BDBM50607892C08525Q27106242(3alpha,5alpha,11R,13beta,19alpha)-1, 2-Didehydro-3-methoxycrinan-11-ol(5S,11R)-3alpha-Methoxy-13beta,19alpha-1,2-didehydrocrinan-11-ol4abeta,5alpha,11balpha-Crinan-12-ol, 1,2-didehydro-3alpha-methoxy-, (12S)-

Database identifiers

CAS: 639-41-8
PubChem CID: 73620
DTXSID: DTXSID701318712
ChEMBL: CHEMBL516991
ChEBI: CHEBI:3914

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 51.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 497

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Compound notes

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