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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O2
Molecular Weight 310.3909
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CUPREINE

SMILES

C=C[C@@]1([H])CN2CC[C@@]1([H])C[C@@]2([H])[C@@]([H])(c3ccnc4ccc(cc34)O)O

InChI

InChIKey=VJFMSYZSFUWQPZ-BIPCEHGGSA-N
InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22N2O2
Molecular Weight 310.3909
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:39:22 UTC 2021
Edited
by admin
on Sat Jun 26 01:39:22 UTC 2021
Record UNII
73J76E056V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CUPREINE
MI  
Common Name English
O-DEMETHYLQUININE
Common Name English
CINCHONAN-6',9-DIOL, (8.ALPHA.,9R)-
Common Name English
DESMETHYLQUININE
Common Name English
CUPREINE [MI]
Common Name English
O6'-DEMETHYLQUININE
Common Name English
(8.ALPHA.,9R)-CINCHONAN-6',9-DIOL
Common Name English
ULTRAQUININE
Common Name English
6'-HYDROXYCINCHONIDINE
Common Name English
Code System Code Type Description
FDA UNII
73J76E056V
Created by admin on Sat Jun 26 01:39:22 UTC 2021 , Edited by admin on Sat Jun 26 01:39:22 UTC 2021
PRIMARY
PUBCHEM
92792
Created by admin on Sat Jun 26 01:39:22 UTC 2021 , Edited by admin on Sat Jun 26 01:39:22 UTC 2021
PRIMARY
CAS
524-63-0
Created by admin on Sat Jun 26 01:39:22 UTC 2021 , Edited by admin on Sat Jun 26 01:39:22 UTC 2021
PRIMARY
MERCK INDEX
M3883
Created by admin on Sat Jun 26 01:39:22 UTC 2021 , Edited by admin on Sat Jun 26 01:39:22 UTC 2021
PRIMARY Merck Index
ECHA (EC/EINECS)
208-363-9
Created by admin on Sat Jun 26 01:39:22 UTC 2021 , Edited by admin on Sat Jun 26 01:39:22 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE