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Details

Stereochemistry ACHIRAL
Molecular Formula C16H10NO2.Na.2H2O
Molecular Weight 307.2764
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINCHOPHEN SODIUM DIHYDRATE

SMILES

O.O.[Na+].[O-]C(=O)C1=CC(=NC2=C1C=CC=C2)C3=CC=CC=C3

InChI

InChIKey=YEUIDGLEQUXMGP-UHFFFAOYSA-M
InChI=1S/C16H11NO2.Na.2H2O/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;;;/h1-10H,(H,18,19);;2*1H2/q;+1;;/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H10NO2
Molecular Weight 248.2561
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
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 Sat Dec 16 11:53:04 UTC 2023
Edited
by admin
on Sat Dec 16 11:53:04 UTC 2023
Record UNII
ZDW83QKF9H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CINCHOPHEN SODIUM DIHYDRATE
Common Name English
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT, HYDRATE (1:1:2)
Systematic Name English
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT, DIHYDRATE
Systematic Name English
Code System Code Type Description
CAS
114813-65-9
Created by admin on Sat Dec 16 11:53:04 UTC 2023 , Edited by admin on Sat Dec 16 11:53:04 UTC 2023
PRIMARY
PUBCHEM
44725916
Created by admin on Sat Dec 16 11:53:04 UTC 2023 , Edited by admin on Sat Dec 16 11:53:04 UTC 2023
PRIMARY
FDA UNII
ZDW83QKF9H
Created by admin on Sat Dec 16 11:53:04 UTC 2023 , Edited by admin on Sat Dec 16 11:53:04 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE