.BETA.-ALANINE, N-(2-(2-NITRO-4-(TRIFLUOROMETHYL)BENZOYL)-3-OXOCYCLOHEXYLIDENE)-

OC(=O)CC\N=C1/CCCC(=O)C1C(=O)C2=CC=C(C=C2[N+]([O-])=O)C(F)(F)F

InChIKey=IXHOACFOZWTQSS-SRZZPIQSSA-N

InChI=1S/C17H15F3N2O6/c18-17(19,20)9-4-5-10(12(8-9)22(27)28)16(26)15-11(2-1-3-13(15)23)21-7-6-14(24)25/h4-5,8,15H,1-3,6-7H2,(H,24,25)/b21-11+

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:55:38 GMT 2023` Edited by `admin` on `Sat Dec 16 07:55:38 GMT 2023`
Record UNII	S56E9E2R85
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

.BETA.-ALANINE, N-(2-(2-NITRO-4-(TRIFLUOROMETHYL)BENZOYL)-3-OXOCYCLOHEXYLIDENE)-

Systematic Name

English

.BETA.-ALANINE-NTBC

Common Name

English

Code System Code Type Description

FDA UNII

S56E9E2R85

Created by admin on Sat Dec 16 07:55:38 GMT 2023 , Edited by admin on Sat Dec 16 07:55:38 GMT 2023

PRIMARY

CAS

1224048-27-4

Created by admin on Sat Dec 16 07:55:38 GMT 2023 , Edited by admin on Sat Dec 16 07:55:38 GMT 2023

PRIMARY

Related Record Type Details


					K5BN214699

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

URINE