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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18N2O2
Molecular Weight 258.3156
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(CYCLOHEXYLMETHYL)-1H-INDAZOLE-3-CARBOXYLIC ACID

SMILES

OC(=O)C1=NN(CC2CCCCC2)C3=C1C=CC=C3

InChI

InChIKey=DVXHKIOGZJHOPD-UHFFFAOYSA-N
InChI=1S/C15H18N2O2/c18-15(19)14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C15H18N2O2
Molecular Weight 258.3156
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Determination of AB-CHMINACA and its metabolites in human hair and their deposition in hair of abusers.
2017 Jun 5
Substance Class Chemical
Created
by admin
on Sat Dec 16 18:25:38 GMT 2023
Edited
by admin
on Sat Dec 16 18:25:38 GMT 2023
Record UNII
NJU44VFU4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(CYCLOHEXYLMETHYL)-1H-INDAZOLE-3-CARBOXYLIC ACID
Systematic Name English
AB-CHMINACA METABOLITE M4
Common Name English
1H-INDAZOLE-3-CARBOXYLIC ACID, 1-(CYCLOHEXYLMETHYL)-
Systematic Name English
Code System Code Type Description
CAS
1271630-11-5
Created by admin on Sat Dec 16 18:25:38 GMT 2023 , Edited by admin on Sat Dec 16 18:25:38 GMT 2023
PRIMARY
FDA UNII
NJU44VFU4G
Created by admin on Sat Dec 16 18:25:38 GMT 2023 , Edited by admin on Sat Dec 16 18:25:38 GMT 2023
PRIMARY
PUBCHEM
55177632
Created by admin on Sat Dec 16 18:25:38 GMT 2023 , Edited by admin on Sat Dec 16 18:25:38 GMT 2023
PRIMARY
CAYMAN
16393
Created by admin on Sat Dec 16 18:25:38 GMT 2023 , Edited by admin on Sat Dec 16 18:25:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE