ALISKIREN HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H53N3O6.ClH
Molecular Weight	588.219
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.COCCCOC1=C(OC)C=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)=C1

InChI

InChIKey=BSJUIBZAXCXFMZ-NATPOTRJSA-N

InChI=1S/C30H53N3O6.ClH/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36;/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35);1H/t22-,23-,24-,25-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C30H53N3O6
Molecular Weight	551.7583
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 08:25:37 UTC 2023` Edited by `admin` on `Sat Dec 16 08:25:37 UTC 2023`
Record UNII	5WAZ9G9ABT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALISKIREN HYDROCHLORIDE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

5WAZ9G9ABT

Created by admin on Sat Dec 16 08:25:37 UTC 2023 , Edited by admin on Sat Dec 16 08:25:37 UTC 2023

PRIMARY

EPA CompTox

DTXSID3049045

Created by admin on Sat Dec 16 08:25:37 UTC 2023 , Edited by admin on Sat Dec 16 08:25:37 UTC 2023

PRIMARY

CAS

173399-03-6

Created by admin on Sat Dec 16 08:25:37 UTC 2023 , Edited by admin on Sat Dec 16 08:25:37 UTC 2023

PRIMARY

PUBCHEM

23625795

Created by admin on Sat Dec 16 08:25:37 UTC 2023 , Edited by admin on Sat Dec 16 08:25:37 UTC 2023

PRIMARY

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