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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.HO2P
Molecular Weight 388.3973
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUININE HYPOPHOSPHITE

SMILES

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

InChI

InChIKey=JWAMXEJYDDQVAR-DSXUQNDKSA-N
InChI=1S/C20H24N2O2.HO2P/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-3-2/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H,1,2)/t13-,14-,19-,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula HO2P
Molecular Weight 63.9805
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:47:15 UTC 2023
Edited
by admin
on Fri Dec 15 15:47:15 UTC 2023
Record UNII
9GXO2WE49Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUININE HYPOPHOSPHITE
Common Name English
QUININE PHOSPHINATE
Common Name English
QUININE PHOSPHINATE (1:1) (SALT)
Common Name English
Classification Tree Code System Code
CFR 21 CFR 310.547
Created by admin on Fri Dec 15 15:47:15 UTC 2023 , Edited by admin on Fri Dec 15 15:47:15 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
228-087-2
Created by admin on Fri Dec 15 15:47:15 UTC 2023 , Edited by admin on Fri Dec 15 15:47:15 UTC 2023
PRIMARY
EVMPD
SUB77764
Created by admin on Fri Dec 15 15:47:15 UTC 2023 , Edited by admin on Fri Dec 15 15:47:15 UTC 2023
PRIMARY
FDA UNII
9GXO2WE49Z
Created by admin on Fri Dec 15 15:47:15 UTC 2023 , Edited by admin on Fri Dec 15 15:47:15 UTC 2023
PRIMARY
PUBCHEM
23618533
Created by admin on Fri Dec 15 15:47:15 UTC 2023 , Edited by admin on Fri Dec 15 15:47:15 UTC 2023
PRIMARY
SMS_ID
100000138311
Created by admin on Fri Dec 15 15:47:15 UTC 2023 , Edited by admin on Fri Dec 15 15:47:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID301031445
Created by admin on Fri Dec 15 15:47:15 UTC 2023 , Edited by admin on Fri Dec 15 15:47:15 UTC 2023
PRIMARY
CAS
6119-53-5
Created by admin on Fri Dec 15 15:47:15 UTC 2023 , Edited by admin on Fri Dec 15 15:47:15 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE