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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28NO5.C24H27N5O3.3Na
Molecular Weight 912.9568
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SACUBITRIL VALSARTAN SODIUM ANHYDROUS

SMILES

CCCCC(=O)N(Cc1ccc(cc1)-c2ccccc2-c3n[n-]nn3)[C@@]([H])(C(C)C)C(=O)[O-].CCOC(=O)[C@]([H])(C)C[C@@]([H])(Cc1ccc(cc1)-c2ccccc2)N=C(CCC(=O)O)[O-].[Na+].[Na+].[Na+]

InChI

InChIKey=PHVGTMDCHAQCRO-LWRBNZNASA-K
InChI=1S/C24H29N5O3.C24H29NO5.3Na/c1-4-5-10-21(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;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;;;/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H2,25,26,27,28,31,32);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;/q;;3*+1/p-3/t22-;17-,21+;;;/m01.../s1

HIDE SMILES / InChI

Molecular Formula C24H28N5O3
Molecular Weight 434.5117
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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 C24H28NO5
Molecular Weight 410.4837
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:53:30 UTC 2021
Edited
by admin
on Sat Jun 26 05:53:30 UTC 2021
Record UNII
51T0V5Z5AD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SACUBITRIL VALSARTAN SODIUM ANHYDROUS
Common 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, (2:2:6)
Systematic Name English
Code System Code Type Description
PUBCHEM
131801102
Created by admin on Sat Jun 26 05:53:30 UTC 2021 , Edited by admin on Sat Jun 26 05:53:30 UTC 2021
PRIMARY
CAS
1898188-76-5
Created by admin on Sat Jun 26 05:53:30 UTC 2021 , Edited by admin on Sat Jun 26 05:53:30 UTC 2021
PRIMARY
FDA UNII
51T0V5Z5AD
Created by admin on Sat Jun 26 05:53:30 UTC 2021 , Edited by admin on Sat Jun 26 05:53:30 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT