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

Details

Stereochemistry RACEMIC
Molecular Formula C19H17Cl2N3O3
Molecular Weight 406.263
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFENOCONAZOLE, TRANS-(±)-

SMILES

C[C@H]1CO[C@](CN2C=NC=N2)(O1)C3=C(Cl)C=C(OC4=CC=C(Cl)C=C4)C=C3

InChI

InChIKey=BQYJATMQXGBDHF-ORAYPTAESA-N
InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H17Cl2N3O3
Molecular Weight 406.263
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:07 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:07 GMT 2023
Record UNII
PNS0723S5D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIFENOCONAZOLE, TRANS-(±)-
Common Name English
1H-1,2,4-TRIAZOLE, 1-(((2R,4R)-2-(2-CHLORO-4-(4-CHLOROPHENOXY)PHENYL)-4-METHYL-1,3-DIOXOLAN-2-YL)METHYL)-, REL-
Common Name English
DIFENOCONAZOLE, (2RS,4RS)-
Common Name English
Code System Code Type Description
FDA UNII
PNS0723S5D
Created by admin on Sat Dec 16 10:06:07 GMT 2023 , Edited by admin on Sat Dec 16 10:06:07 GMT 2023
PRIMARY
PUBCHEM
40561134
Created by admin on Sat Dec 16 10:06:07 GMT 2023 , Edited by admin on Sat Dec 16 10:06:07 GMT 2023
PRIMARY
CAS
868383-32-8
Created by admin on Sat Dec 16 10:06:07 GMT 2023 , Edited by admin on Sat Dec 16 10:06:07 GMT 2023
PRIMARY