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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H18N4O2
Molecular Weight 274.3183
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ADB-INACA, S-isomer

SMILES

CC(C)(C)[C@H](NC(=O)C1=NNC2=CC=CC=C12)C(N)=O

InChI

InChIKey=UFECWXZSRFBSHC-LLVKDONJSA-N
InChI=1S/C14H18N4O2/c1-14(2,3)11(12(15)19)16-13(20)10-8-6-4-5-7-9(8)17-18-10/h4-7,11H,1-3H3,(H2,15,19)(H,16,20)(H,17,18)/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H18N4O2
Molecular Weight 274.3183
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 18:44:17 GMT 2023
Edited
by admin
on Sat Dec 16 18:44:17 GMT 2023
Record UNII
JSR4Z7QBW9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ADB-INACA, S-isomer
Common Name English
N-((1S)-1-(AMINOCARBONYL)-2,2-DIMETHYLPROPYL)-1H-INDAZOLE-3-CARBOXAMIDE
Systematic Name English
ADB-FUBINACA METABOLITE M3
Common Name English
1H-INDAZOLE-3-CARBOXAMIDE, N-((1S)-1-(AMINOCARBONYL)-2,2-DIMETHYLPROPYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
JSR4Z7QBW9
Created by admin on Sat Dec 16 18:44:18 GMT 2023 , Edited by admin on Sat Dec 16 18:44:18 GMT 2023
PRIMARY
CAS
1887742-42-8
Created by admin on Sat Dec 16 18:44:18 GMT 2023 , Edited by admin on Sat Dec 16 18:44:18 GMT 2023
PRIMARY
PUBCHEM
155928944
Created by admin on Sat Dec 16 18:44:18 GMT 2023 , Edited by admin on Sat Dec 16 18:44:18 GMT 2023
PRIMARY
Related Record Type Details
PARENT->PRECURSOR
Related Record Type Details
PARENT -> METABOLITE
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