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=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=C1OCCCO

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 `Sat Dec 16 14:57:23 GMT 2023` Edited by `admin` on `Sat Dec 16 14:57:23 GMT 2023`
Record UNII	7X3DF4S7XZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-O-DEMTHEYL ALISKIREN

Common 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 HYDROXYPROPOXY ANALOG

Common Name

English

ALISKIREN METABOLITE M3

Common Name

English

Code System Code Type Description

PUBCHEM

71315708

Created by admin on Sat Dec 16 14:57:23 GMT 2023 , Edited by admin on Sat Dec 16 14:57:23 GMT 2023

PRIMARY

CAS

949925-76-2

Created by admin on Sat Dec 16 14:57:23 GMT 2023 , Edited by admin on Sat Dec 16 14:57:23 GMT 2023

PRIMARY

FDA UNII

7X3DF4S7XZ

Created by admin on Sat Dec 16 14:57:23 GMT 2023 , Edited by admin on Sat Dec 16 14:57:23 GMT 2023

PRIMARY

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