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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H17Cl2N3O
Molecular Weight 314.21
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXACONAZOLE, (+)-

SMILES

CCCC[C@](O)(CN1C=NC=N1)C2=CC=C(Cl)C=C2Cl

InChI

InChIKey=STMIIPIFODONDC-AWEZNQCLSA-N
InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H17Cl2N3O
Molecular Weight 314.21
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:05:44 GMT 2023
Edited
by admin
on Sat Dec 16 09:05:44 GMT 2023
Record UNII
TE72G00GGS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXACONAZOLE, (+)-
Common Name English
(+)-HEXACONAZOLE
Common Name English
(R)-HEXACONAZOLE
Common Name English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .ALPHA.-BUTYL-.ALPHA.-(2,4-DICHLOROPHENYL)-, (.ALPHA.R)-
Systematic Name English
Code System Code Type Description
FDA UNII
TE72G00GGS
Created by admin on Sat Dec 16 09:05:44 GMT 2023 , Edited by admin on Sat Dec 16 09:05:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID501022212
Created by admin on Sat Dec 16 09:05:44 GMT 2023 , Edited by admin on Sat Dec 16 09:05:44 GMT 2023
PRIMARY
CAS
221627-81-2
Created by admin on Sat Dec 16 09:05:44 GMT 2023 , Edited by admin on Sat Dec 16 09:05:44 GMT 2023
PRIMARY
PUBCHEM
37888330
Created by admin on Sat Dec 16 09:05:44 GMT 2023 , Edited by admin on Sat Dec 16 09:05:44 GMT 2023
PRIMARY