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

Details

Stereochemistry MIXED
Molecular Formula C15H17ClN4O
Molecular Weight 304.775
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MYCLOBUTANIL HYDROXIDE

SMILES

CC(O)CCC(CN1C=NC=N1)(C#N)C2=CC=C(Cl)C=C2

InChI

InChIKey=HIUOATAFAFIXAL-UHFFFAOYSA-N
InChI=1S/C15H17ClN4O/c1-12(21)6-7-15(8-17,9-20-11-18-10-19-20)13-2-4-14(16)5-3-13/h2-5,10-12,21H,6-7,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C15H17ClN4O
Molecular Weight 304.775
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:02 GMT 2023
Edited
by admin
on Sat Dec 16 08:53:02 GMT 2023
Record UNII
6WPK17I4HM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MYCLOBUTANIL HYDROXIDE
Common Name English
1H-1,2,4-TRIAZOLE-1-PROPANENITRILE, .ALPHA.-(4-CHLOROPHENYL)-.ALPHA.-(3-HYDROXYBUTYL)-
Systematic Name English
ALPHA-(4-CHLOROPHENYL)-ALPHA-(3-HYDROXYBUTYL)-1H-1,2,4-TRIAZOLE-1-PROPANENITRILE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20922210
Created by admin on Sat Dec 16 08:53:02 GMT 2023 , Edited by admin on Sat Dec 16 08:53:02 GMT 2023
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CAS
116928-93-9
Created by admin on Sat Dec 16 08:53:02 GMT 2023 , Edited by admin on Sat Dec 16 08:53:02 GMT 2023
PRIMARY
PUBCHEM
189447
Created by admin on Sat Dec 16 08:53:02 GMT 2023 , Edited by admin on Sat Dec 16 08:53:02 GMT 2023
PRIMARY
FDA UNII
6WPK17I4HM
Created by admin on Sat Dec 16 08:53:02 GMT 2023 , Edited by admin on Sat Dec 16 08:53:02 GMT 2023
PRIMARY