Sacubitril-valsartan

CAS Registry Number®

936623-90-4

CAS Name

Sacubitril-valsartan

Molecular Formula

C24H29N5O3.C24H29NO5.5/2H2O.3Na

Cite this Page

Sacubitril-valsartan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=936623-90-4 (retrieved 2024-11-22) (CAS RN: 936623-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H29N5O3.C24H29NO5.Na.H2O/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,(H,31,32)(H,25,26,27,28);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;1H2/t22-;17-,21+;;/m01../s1

InChIKey

InChIKey=IFCNUAFRAJCYKN-DDXUJOENSA-N

SMILES

C([C@H](C[C@H](C(OCC)=O)C)NC(CCC(O)=O)=O)C1=CC=C(C=C1)C2=CC=CC=C2.C(N([C@@H]([C@H](C)C)C(O)=O)C(CCCC)=O)C1=CC=C(C2=C(C=CC=C2)C=3NN=NN3)C=C1.[Na].O

Canonical SMILES

[Na].O=C(O)CCC(=O)NC(CC=1C=CC(=CC1)C=2C=CC=CC2)CC(C(=O)OCC)C.O=C(O)C(N(C(=O)CCCC)CC=1C=CC(=CC1)C=2C=CC=CC2C3=NN=NN3)C(C)C.O

Other Names for this Substance

  • L-Valine, N-(1-oxopentyl)-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]-, compd. with α-ethyl (αR,γS)-γ-[(3-carboxy-1-oxopropyl)amino]-α-methyl[1,1′-biphenyl]-4-pentanoate, sodium salt, hydrate (2:2:6:5)
  • LCZ 696
  • Entresto
  • Sacubitril-valsartan mixt.
  • Sacubitril-valsartan

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration