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Details

Stereochemistry RACEMIC
Molecular Formula C18H24ClN3O
Molecular Weight 333.856
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IPCONAZOLE, (1R,2S,5S)-REL-

SMILES

CC(C)[C@@H]1CC[C@@H](CC2=CC=C(Cl)C=C2)[C@]1(O)CN3C=NC=N3

InChI

InChIKey=QTYCMDBMOLSEAM-RYQLBKOJSA-N
InChI=1S/C18H24ClN3O/c1-13(2)17-8-5-15(9-14-3-6-16(19)7-4-14)18(17,23)10-22-12-20-11-21-22/h3-4,6-7,11-13,15,17,23H,5,8-10H2,1-2H3/t15-,17-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H24ClN3O
Molecular Weight 333.856
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:09:29 GMT 2025
Edited
by admin
on Wed Apr 02 11:09:29 GMT 2025
Record UNII
0666DPS02E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
IPCONAZOLE, (1R,2S,5S)-REL-
Common Name English
IPCONAZOLE, CIS-TRANS-
Preferred Name English
CIS,TRANS-IPCONAZOLE [MI]
Common Name English
CYCLOPENTANOL, 2-((4-CHLOROPHENYL)METHYL)-5-(1-METHYLETHYL)-1-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-, (1.ALPHA.,2.ALPHA.,5.BETA.)-
Systematic Name English
IPCONAZOLE, CT-
Common Name English
Code System Code Type Description
FDA UNII
0666DPS02E
Created by admin on Wed Apr 02 11:09:29 GMT 2025 , Edited by admin on Wed Apr 02 11:09:29 GMT 2025
PRIMARY
PUBCHEM
67909593
Created by admin on Wed Apr 02 11:09:29 GMT 2025 , Edited by admin on Wed Apr 02 11:09:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID00905066
Created by admin on Wed Apr 02 11:09:29 GMT 2025 , Edited by admin on Wed Apr 02 11:09:29 GMT 2025
PRIMARY
MERCK INDEX
m11989
Created by admin on Wed Apr 02 11:09:29 GMT 2025 , Edited by admin on Wed Apr 02 11:09:29 GMT 2025
PRIMARY
CAS
115937-89-8
Created by admin on Wed Apr 02 11:09:29 GMT 2025 , Edited by admin on Wed Apr 02 11:09:29 GMT 2025
PRIMARY