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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28N4O3
Molecular Weight 372.4613
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0
Stereo Comments Unspecified cis-trans substitution

SHOW SMILES / InChI
Structure of (S)-N-(1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-((4-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE

SMILES

CC(C)[C@H](NC(=O)C1=NN(CC2CCC(O)CC2)C3=C1C=CC=C3)C(N)=O

InChI

InChIKey=GAXQKKYBSIFRJX-KVULBXGLSA-N
InChI=1S/C20H28N4O3/c1-12(2)17(19(21)26)22-20(27)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(25)10-8-13/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,21,26)(H,22,27)/t13?,14?,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28N4O3
Molecular Weight 372.4613
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 18:30:18 UTC 2023
Edited
by admin
on Sat Dec 16 18:30:18 UTC 2023
Record UNII
7QM8AHK8DN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-N-(1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-((4-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
AB-CHMINACA METABOLITE M1A
Common Name English
Code System Code Type Description
FDA UNII
7QM8AHK8DN
Created by admin on Sat Dec 16 18:30:18 UTC 2023 , Edited by admin on Sat Dec 16 18:30:18 UTC 2023
PRIMARY
CAS
2130879-83-1
Created by admin on Sat Dec 16 18:30:18 UTC 2023 , Edited by admin on Sat Dec 16 18:30:18 UTC 2023
PRIMARY
PUBCHEM
125181279
Created by admin on Sat Dec 16 18:30:18 UTC 2023 , Edited by admin on Sat Dec 16 18:30:18 UTC 2023
PRIMARY
CAYMAN
16387
Created by admin on Sat Dec 16 18:30:18 UTC 2023 , Edited by admin on Sat Dec 16 18:30:18 UTC 2023
PRIMARY
Related Record Type Details
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