3'-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

COC1=C(OCCCO)C=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=C1

InChI

InChIKey=NOJYSLNNIPUEPC-ZJZGAYNASA-N

InChI=1S/C29H51N3O6/c1-18(2)21(13-20-9-10-25(37-7)26(14-20)38-12-8-11-33)15-23(30)24(34)16-22(19(3)4)27(35)32-17-29(5,6)28(31)36/h9-10,14,18-19,21-24,33-34H,8,11-13,15-17,30H2,1-7H3,(H2,31,36)(H,32,35)/t21-,22-,23-,24-/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 `Wed Apr 02 02:14:19 GMT 2025` Edited by `admin` on `Wed Apr 02 02:14:19 GMT 2025`
Record UNII	7X3DF4S7XZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-O-DEMTHEYL ALISKIREN

Common Name

English

ALISKIREN HYDROXYPROPOXY ANALOG

Preferred Name

English

O-DEMTHEYL ALISKIREN, (HYDROXYPROPOXY O)-

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

ALISKIREN METABOLITE M3

Common Name

English

Code System Code Type Description

PUBCHEM

71315708

Created by admin on Wed Apr 02 02:14:19 GMT 2025 , Edited by admin on Wed Apr 02 02:14:19 GMT 2025

PRIMARY

CAS

949925-76-2

Created by admin on Wed Apr 02 02:14:19 GMT 2025 , Edited by admin on Wed Apr 02 02:14:19 GMT 2025

PRIMARY

FDA UNII

7X3DF4S7XZ

Created by admin on Wed Apr 02 02:14:19 GMT 2025 , Edited by admin on Wed Apr 02 02:14:19 GMT 2025

PRIMARY

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