U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H10Cl2N2O
Molecular Weight 305.159
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-CHLORO-2-(CHLOROMETHYL)-4-PHENYLQUINAZOLINE 3-OXIDE

SMILES

[O-][N+]1=C(C2=CC=CC=C2)C3=C(C=CC(Cl)=C3)N=C1CCl

InChI

InChIKey=KFDNKXWSTFABQT-UHFFFAOYSA-N
InChI=1S/C15H10Cl2N2O/c16-9-14-18-13-7-6-11(17)8-12(13)15(19(14)20)10-4-2-1-3-5-10/h1-8H,9H2

HIDE SMILES / InChI

Molecular Formula C15H10Cl2N2O
Molecular Weight 305.159
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Dermatitis from quinazoline oxide.
1986 Aug
Substance Class Chemical
Created
by admin
on Sat Dec 16 04:54:30 GMT 2023
Edited
by admin
on Sat Dec 16 04:54:30 GMT 2023
Record UNII
QNG87K5614
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-CHLORO-2-(CHLOROMETHYL)-4-PHENYLQUINAZOLINE 3-OXIDE
Systematic Name English
2-CHLOROMETHYL-4-PHENYL-6-CHLOROQUINAZOLINE 3-OXIDE
Systematic Name English
QUINAZOLINE, 6-CHLORO-2-(CHLOROMETHYL)-4-PHENYL-, 3-OXIDE
Systematic Name English
2-(CHLOROMETHYL)-6-CHLORO-4-PHENYLQUINAZOLINE 3-OXIDE
Systematic Name English
CHLORDIAZEPOXIDE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
CHLORDIAZEPOXIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00208241
Created by admin on Sat Dec 16 04:54:31 GMT 2023 , Edited by admin on Sat Dec 16 04:54:31 GMT 2023
PRIMARY
CAS
5958-24-7
Created by admin on Sat Dec 16 04:54:31 GMT 2023 , Edited by admin on Sat Dec 16 04:54:31 GMT 2023
PRIMARY
FDA UNII
QNG87K5614
Created by admin on Sat Dec 16 04:54:31 GMT 2023 , Edited by admin on Sat Dec 16 04:54:31 GMT 2023
PRIMARY
PUBCHEM
112828
Created by admin on Sat Dec 16 04:54:31 GMT 2023 , Edited by admin on Sat Dec 16 04:54:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY