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Details

Stereochemistry MIXED
Molecular Formula C20H28N4O3
Molecular Weight 372.4613
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

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

SMILES

CC(C)[C@H](NC(=O)C1=NN(CC2CCCC(O)C2)C3=C1C=CC=C3)C(N)=O

InChI

InChIKey=JPYMZGZGKXHPPL-KVULBXGLSA-N
InChI=1S/C20H28N4O3/c1-12(2)17(19(21)26)22-20(27)18-15-8-3-4-9-16(15)24(23-18)11-13-6-5-7-14(25)10-13/h3-4,8-9,12-14,17,25H,5-7,10-11H2,1-2H3,(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 MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:25:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:25:32 GMT 2023
Record UNII
6TCS84269W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-((S)-1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-((3-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
AB-CHMINACA METABOLITE M1B
Common Name English
1H-INDAZOLE-3-CARBOXAMIDE, N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-((3-HYDROXYCYCLOHEXYL)METHYL)-
Systematic Name English
Code System Code Type Description
CAYMAN
16388
Created by admin on Sat Dec 16 18:25:32 GMT 2023 , Edited by admin on Sat Dec 16 18:25:32 GMT 2023
PRIMARY
CAS
2131173-54-9
Created by admin on Sat Dec 16 18:25:32 GMT 2023 , Edited by admin on Sat Dec 16 18:25:32 GMT 2023
PRIMARY
FDA UNII
6TCS84269W
Created by admin on Sat Dec 16 18:25:32 GMT 2023 , Edited by admin on Sat Dec 16 18:25:32 GMT 2023
PRIMARY
PUBCHEM
132988715
Created by admin on Sat Dec 16 18:25:32 GMT 2023 , Edited by admin on Sat Dec 16 18:25:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE