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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22N2O.2ClH
Molecular Weight 367.313
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPICINCHONIDINE DIHYDROCHLORIDE

SMILES

Cl.Cl.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)C3=C4C=CC=CC4=NC=C3

InChI

InChIKey=ZDBQDNUZNQOCTH-NSTADJBLSA-N
InChI=1S/C19H22N2O.2ClH/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;2*1H/t13-,14-,18-,19-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H22N2O
Molecular Weight 294.3908
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 Dec 16 06:02:28 UTC 2023
Edited
by admin
on Sat Dec 16 06:02:28 UTC 2023
Record UNII
I8N0G33SOF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPICINCHONIDINE DIHYDROCHLORIDE
Common Name English
CINCHONAN-9-OL, HYDROCHLORIDE (1:2), (8.ALPHA.,9S)-
Common Name English
Code System Code Type Description
CAS
1374349-01-5
Created by admin on Sat Dec 16 06:02:28 UTC 2023 , Edited by admin on Sat Dec 16 06:02:28 UTC 2023
PRIMARY
PUBCHEM
71463607
Created by admin on Sat Dec 16 06:02:28 UTC 2023 , Edited by admin on Sat Dec 16 06:02:28 UTC 2023
PRIMARY
FDA UNII
I8N0G33SOF
Created by admin on Sat Dec 16 06:02:28 UTC 2023 , Edited by admin on Sat Dec 16 06:02:28 UTC 2023
PRIMARY