Sacubitril/valsartan

chemical compound

Wikidata entity: Q6457467

C₄₈H₅₇N₆Na₃O₉ (P274)



Quantities

P2067mass930.38801

P3780 active ingredient in ... Q29005800 (Entresto) Entresto
P3780 active ingredient in ... Q29006207 (Neparvis) Neparvis
P233 canonical SMILES String CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)C(C(C)C)C(=O)[O-].CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.[Na+].[Na+].[Na+] ???
P527 has part(s) ... Q155472 (valsartan) valsartan
P527 has part(s) ... Q17811448 (sacubitril) sacubitril
P31 instance of ... Q12140 (medication) medication
P31 instance of ... Q79529 (chemical substance) chemical substance
P31 instance of ... Q169336 (mixture) mixture
P2017 isomeric SMILES String CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=N[N-]3)[C@@H](C(C)C)C(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].O.[Na+].[Na+].[Na+] ???
P2175 medical condition treated ... Q41861 (arterial hypertension) arterial hypertension
P2175 medical condition treated ... Q190805 (heart disease) heart disease
P2175 medical condition treated ... Q19000661 (congestive heart failure) congestive heart failure
P2175 medical condition treated ... Q847583 (cardiomyopathy) cardiomyopathy

External Ids
P267ATC codeC09DX04
P231CAS Registry Number936623-90-4
P661ChemSpider ID39625840
P8494DSSTOX compound identifierDTXCID30161991
P3117DSSTox substance IDDTXSID50239500
P646Freebase ID/m/0j26948
P234InChIInChI=1S/C24H29N5O3.C24H29NO5.3Na.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,(H2,25,26,27,28,31,32);4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);;;;1H2/q;;3*+1;/p-3/t22-;17-,21+;;;;/m01..../s1
P235InChIKeyUOLUPHRXIRFONO-JOYYXRJNSA-K
P6366Microsoft Academic ID (discontinued)2775999527
P11199Probes And Drugs IDPD056121
P662PubChem CID24755604
P3345RxNorm CUI1656339
P11089UniChem compound ID1075176
P11143WikiProjectMed IDSacubitril/valsartan

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