BUTANAMIDE, 2,3-DIHYDROXY-3-METHYL-N-((1S)-1-METHYL-2-OXO-2-(((1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL)AMINO)ETHYL)-, (2S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H27N3O5
Molecular Weight	377.4348
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTANAMIDE, 2,3-DIHYDROXY-3-METHYL-N-((1S)-1-METHYL-2-OXO-2-(((1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL)AMINO)ETHYL)-, (2S)-

Structure Search

SMILES

C[C@H](NC(=O)[C@@H](O)C(C)(C)O)C(=O)N[C@H]1C2=C(CCN(C)C1=O)C=CC=C2

InChI

InChIKey=YUMJKDNNVNRUDW-TUKIKUTGSA-N

InChI=1S/C19H27N3O5/c1-11(20-17(25)15(23)19(2,3)27)16(24)21-14-13-8-6-5-7-12(13)9-10-22(4)18(14)26/h5-8,11,14-15,23,27H,9-10H2,1-4H3,(H,20,25)(H,21,24)/t11-,14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H27N3O5
Molecular Weight	377.4348
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:26:45 UTC 2023` Edited by `admin` on `Sat Dec 16 16:26:45 UTC 2023`
Record UNII	G3XAH7T8HW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTANAMIDE, 2,3-DIHYDROXY-3-METHYL-N-((1S)-1-METHYL-2-OXO-2-(((1S)-2,3,4,5-TETRAHYDRO-3-METHYL-2-OXO-1H-3-BENZAZEPIN-1-YL)AMINO)ETHYL)-, (2S)-

Systematic Name

English

SEMAGACESTAT METABOLITE M4

Common Name

English

Code System Code Type Description

PUBCHEM

155928908

Created by admin on Sat Dec 16 16:26:45 UTC 2023 , Edited by admin on Sat Dec 16 16:26:45 UTC 2023

PRIMARY

FDA UNII

G3XAH7T8HW

Created by admin on Sat Dec 16 16:26:45 UTC 2023 , Edited by admin on Sat Dec 16 16:26:45 UTC 2023

PRIMARY

CAS

1296772-45-6

Created by admin on Sat Dec 16 16:26:45 UTC 2023 , Edited by admin on Sat Dec 16 16:26:45 UTC 2023

PRIMARY

Related Record Type Details


					3YN0602W4W

SEMAGACESTAT

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE