ADB-INACA, S-isomer

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 Search

SMILES

CC(C)(C)[C@H](NC(=O)C1=NNC2=C1C=CC=C2)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 `Wed Apr 02 12:08:02 GMT 2025` Edited by `admin` on `Wed Apr 02 12:08:02 GMT 2025`
Record UNII	JSR4Z7QBW9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ADB-FUBINACA METABOLITE M3

Preferred Name

English

ADB-INACA, S-isomer

Common Name

English

N-((1S)-1-(AMINOCARBONYL)-2,2-DIMETHYLPROPYL)-1H-INDAZOLE-3-CARBOXAMIDE

Systematic 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 Wed Apr 02 12:08:02 GMT 2025 , Edited by admin on Wed Apr 02 12:08:02 GMT 2025

PRIMARY

CAS

1887742-42-8

Created by admin on Wed Apr 02 12:08:02 GMT 2025 , Edited by admin on Wed Apr 02 12:08:02 GMT 2025

PRIMARY

EPA CompTox

DTXSID901351780

Created by admin on Wed Apr 02 12:08:02 GMT 2025 , Edited by admin on Wed Apr 02 12:08:02 GMT 2025

PRIMARY

PUBCHEM

155928944

Created by admin on Wed Apr 02 12:08:02 GMT 2025 , Edited by admin on Wed Apr 02 12:08:02 GMT 2025

PRIMARY

Related Record Type Details


					PUVP61SOSI

ADB-BINACA

PARENT->PRECURSOR

Amount:

Related Record Type Details


					05235E1S2O

ADB-FUBINACA

PARENT -> METABOLITE

Comments:

IN VITRO

Amount: