4-O-DEMTHEYL ALISKIREN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H51N3O6
Molecular Weight	537.7317
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCCOC1=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=CC=C1O

InChI

InChIKey=XLDBISPSZMTXRB-LCXINAFSSA-N

InChI=1S/C29H51N3O6/c1-18(2)21(13-20-9-10-24(33)26(14-20)38-12-8-11-37-7)15-23(30)25(34)16-22(19(3)4)27(35)32-17-29(5,6)28(31)36/h9-10,14,18-19,21-23,25,33-34H,8,11-13,15-17,30H2,1-7H3,(H2,31,36)(H,32,35)/t21-,22-,23-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H51N3O6
Molecular Weight	537.7317
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:38:53 GMT 2023` Edited by `admin` on `Sat Dec 16 14:38:53 GMT 2023`
Record UNII	334GJ8JD8L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-O-DEMTHEYL ALISKIREN

Common Name

English

ALISKIREN METABOLITE M1

Common Name

English

(.ALPHA.S,.GAMMA.S,.DELTA.S,.ZETA.S)-.DELTA.-AMINO-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.,4-DIHYDROXY-3-(3-METHOXYPROPOXY)-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)BENZENEOCTANAMIDE

Systematic Name

English

BENZENEOCTANAMIDE, .DELTA.-AMINO-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.,4-DIHYDROXY-3-(3-METHOXYPROPOXY)-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)-, (.ALPHA.S,.GAMMA.S,.DELTA.S,.ZETA.S)-

Systematic Name

English

Code System Code Type Description

CAS

949925-74-0

Created by admin on Sat Dec 16 14:38:53 GMT 2023 , Edited by admin on Sat Dec 16 14:38:53 GMT 2023

PRIMARY

FDA UNII

334GJ8JD8L

Created by admin on Sat Dec 16 14:38:53 GMT 2023 , Edited by admin on Sat Dec 16 14:38:53 GMT 2023

PRIMARY

PUBCHEM

118752976

Created by admin on Sat Dec 16 14:38:53 GMT 2023 , Edited by admin on Sat Dec 16 14:38:53 GMT 2023

PRIMARY

Related Record Type Details


					502FWN4Q32

ALISKIREN

PARENT -> METABOLITE

Qualification:

FECAL

Amount: