SACUBITRIL VALSARTAN SODIUM HYDRATE

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C24H28NO5.2C24H27N5O3.6Na.5H2O
Molecular Weight	1915.9864
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SACUBITRIL VALSARTAN SODIUM HYDRATE

Structure Search

SMILES

O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC([O-])=O.CCOC(=O)[C@H](C)C[C@@H](CC3=CC=C(C=C3)C4=CC=CC=C4)NC(=O)CCC([O-])=O.CCCCC(=O)N(CC5=CC=C(C=C5)C6=C(C=CC=C6)C7=NN=N[N-]7)[C@@H](C(C)C)C([O-])=O.CCCCC(=O)N(CC8=CC=C(C=C8)C9=C(C=CC=C9)C%10=NN=N[N-]%10)[C@@H](C(C)C)C([O-])=O

InChI

InChIKey=ZASXKEGREHRXDL-CAWNUZPDSA-H

InChI=1S/2C24H29N5O3.2C24H29NO5.6Na.5H2O/c2*1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23;2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;;;;;;;;;;;/h2*6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;;;;5*1H2/q;;;;6*+1;;;;;/p-6/t2*22-;2*17-,21+;;;;;;;;;;;/m0011.........../s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	C24H29NO5
Molecular Weight	411.4908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C24H29N5O3
Molecular Weight	435.5188
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:50:53 UTC 2023` Edited by `admin` on `Sat Dec 16 05:50:53 UTC 2023`
Record UNII	WB8FT61183
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SACUBITRIL VALSARTAN SODIUM HYDRATE

Common Name

English

VALSARTAN AHU-377 SODIUM HEMIPENTAHYDRATE

Common Name

English

SACUBITRIL VALSARTAN SODIUM HYDRATE [JAN]

Common Name

English

SUCABITRIL VALSARTAN SODIUM HYDRATE

Common Name

English

ENTRESTO

Brand Name

English

L-VALINE, N-(1-OXOPENTYL)-N-((2'-(2H-TETRAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)METHYL)-, COMPD. WITH .ALPHA.-ETHYL (.ALPHA.R,.GAMMA.S)-.GAMMA.-((3-CARBOXY-1-OXOPROPYL)AMINO)-.ALPHA.-METHYL(1,1'-BIPHENYL)-4-PENTANOATE, SODIUM SALT, HYDRATE (2:2:6:5)

Common Name

English

LCZ696

Code

English

LCZ-696

Code

English

Code System Code Type Description

EPA CompTox

DTXSID50239500