(E)-2-((1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBONYL)IMINO)-4-HYDROXY-3,3-DIMETHYLBUTANOIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H20FN3O4
Molecular Weight	397.3996
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (E)-2-((1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBONYL)IMINO)-4-HYDROXY-3,3-DIMETHYLBUTANOIC ACID

Structure Search

SMILES

CC(C)(CO)C(=N/C(=O)C1=NN(CC2=CC=C(F)C=C2)C3=CC=CC=C13)\C(O)=O

InChI

InChIKey=KBNAZIFGDACIOA-NKFKGCMQSA-N

InChI=1S/C21H20FN3O4/c1-21(2,12-26)18(20(28)29)23-19(27)17-15-5-3-4-6-16(15)25(24-17)11-13-7-9-14(22)10-8-13/h3-10,26H,11-12H2,1-2H3,(H,28,29)/b23-18-

HIDE SMILES / InChI

Molecular Formula	C21H20FN3O4
Molecular Weight	397.3996
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:58:13 UTC 2023` Edited by `admin` on `Sat Dec 16 18:58:13 UTC 2023`
Record UNII	BBS55YZK27
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(E)-2-((1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBONYL)IMINO)-4-HYDROXY-3,3-DIMETHYLBUTANOIC ACID

Systematic Name

English

ADB-FUBINACA METABOLITE M21

Common Name

English

Code System Code Type Description

FDA UNII

BBS55YZK27

Created by admin on Sat Dec 16 18:58:13 UTC 2023 , Edited by admin on Sat Dec 16 18:58:13 UTC 2023

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ADB-FUBINACA

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