O-DEMETHOXYPROPANE ALISKIREN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H45N3O5
Molecular Weight	479.6526
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-DEMETHOXYPROPANE ALISKIREN

Structure Search

SMILES

COC1=CC=C(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)C=C1O

InChI

InChIKey=BCUNQZNYUMYGGS-TUFLPTIASA-N

InChI=1S/C26H45N3O5/c1-15(2)18(10-17-8-9-23(34-7)22(31)11-17)12-20(27)21(30)13-19(16(3)4)24(32)29-14-26(5,6)25(28)33/h8-9,11,15-16,18-21,30-31H,10,12-14,27H2,1-7H3,(H2,28,33)(H,29,32)/t18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H45N3O5
Molecular Weight	479.6526
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 14:43:30 GMT 2023` Edited by `admin` on `Sat Dec 16 14:43:30 GMT 2023`
Record UNII	K2N48C2MWH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-DEMETHOXYPROPANE ALISKIREN

Common Name

English

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

Systematic Name

English

ALISKIREN METABOLITE M4

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

949925-77-3

Created by admin on Sat Dec 16 14:43:30 GMT 2023 , Edited by admin on Sat Dec 16 14:43:30 GMT 2023

PRIMARY

PUBCHEM

73603892

Created by admin on Sat Dec 16 14:43:30 GMT 2023 , Edited by admin on Sat Dec 16 14:43:30 GMT 2023

PRIMARY

FDA UNII

K2N48C2MWH

Created by admin on Sat Dec 16 14:43:30 GMT 2023 , Edited by admin on Sat Dec 16 14:43:30 GMT 2023

PRIMARY

Related Record Type Details


					502FWN4Q32

ALISKIREN

PARENT -> METABOLITE

Qualification:

URINE

Amount: