Chem
J-GLOBAL ID:200907074860781712
Nikkaji number:J6.003H Cinchonidine シンコニジン
Download MOL file Substance type: Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C19 H22 N2 O Molecular formula furigana:
C19-H22-N2-O
Molecular weight:
294.398
InChI:
InChI=1S/C19H22N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h2-7,9,13-14,18-19,22H,1,8,10-12H2/t13-,14-,18-,19+/m0/s1
InChI key:
KMPWYEUPVWOPIM-KODHJQJWSA-N
SMILES:
O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c1ccnc2ccccc12
Systematic name (3): (8S,9R)-シンコナン-9-オール (8α,9R)-シンコナン-9-オール (8S,9R)-9-ヒドロキシシンコナン Other name (13): α-キニジン シンコニジン シンコバチン α-Quinidine Cinchonidine
Cinchovatine (8S,9R)-Cinchonan-9-ol (-)-Cinchonidine (-)-シンコニジン (8α,9R)-Cinchonan-9-ol L-シンコニジン L-Cinchonidine (8S,9R)-9-Hydroxycinchonan Show all
CAS registry number:
485-71-2
Regulation number (4):
(9)-501
GD2975000
EINECS2076223
TSCA(485-71-2)
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