(E)-N-(1-AMINO-4-HYDROXY-3,3-DIMETHYL-1-OXOBUTAN-2-YLIDENE)-1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21FN4O3
Molecular Weight	396.4148
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (E)-N-(1-AMINO-4-HYDROXY-3,3-DIMETHYL-1-OXOBUTAN-2-YLIDENE)-1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDE

Structure Search

SMILES

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

InChI

InChIKey=QPWQOPGRTUPHCA-MOHJPFBDSA-N

InChI=1S/C21H21FN4O3/c1-21(2,12-27)18(19(23)28)24-20(29)17-15-5-3-4-6-16(15)26(25-17)11-13-7-9-14(22)10-8-13/h3-10,27H,11-12H2,1-2H3,(H2,23,28)/b24-18-

HIDE SMILES / InChI

Molecular Formula	C21H21FN4O3
Molecular Weight	396.4148
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 18:51:44 UTC 2023` Edited by `admin` on `Sat Dec 16 18:51:44 UTC 2023`
Record UNII	HU5U9WC8WV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(E)-N-(1-AMINO-4-HYDROXY-3,3-DIMETHYL-1-OXOBUTAN-2-YLIDENE)-1-(4-FLUOROBENZYL)-1H-INDAZOLE-3-CARBOXAMIDE

Systematic Name

English

ADB-FUBINACA METABOLITE M15

Common Name

English

Code System Code Type Description

FDA UNII

HU5U9WC8WV

Created by admin on Sat Dec 16 18:51:44 UTC 2023 , Edited by admin on Sat Dec 16 18:51:44 UTC 2023

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ADB-FUBINACA

PARENT -> METABOLITE

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IN VITRO

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