AG003PXC

84680-54-6 | Enalaprilat Dihydrate

AG003PXC

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CAS Number	84680-54-6
Catalog Number	AG003PXC(AGN-PC-0USUT2)
Chemical Name	Enalaprilat Dihydrate
IUPAC Name	(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid;dihydrate
InChI	InChI=1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*1H2/t12-,14-,15-;;/m0../s1
InChI Key	MZYVOFLIPYDBGD-MLZQUWKJSA-N
MDL Number	MFCD00941393
Molecular Formula	C18H28N2O7
Molecular Weight	384.4241
SMILES	O=C([C@H]1N(CCC1)C([C@@H](N[C@@H](CCC2=CC=CC=C2)C(O)=O)C)=O)O.[H]O[H].[H]O[H]
UNII	GV0O7ES0R3
Synonyms	1-(N-((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-L-proline dihydrate, Enalaprilat, Enalaprilat Anhydrous, Enalaprilat Citrate, Anhydrous, Enalaprilat Dihydrate, Enalaprilat, (R)-Isomer, Anhydrous, Enalaprilic Acid, MK 422, MK-422, MK422, Pres iv, Vasotec, Xanef, ENALAPRILAT DIHYDRATE, 84680-54-6, Enalprilate hydrate, Enalaprilat (dihydrate), UNII-GV0O7ES0R3, C18H24N2O5.2H2O, GV0O7ES0R3, MK-422, 1-(N-((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-L-proline dihydrate, L-Proline, 1-(N-(1-carboxy-3-phenylpropyl)-L-alanyl)-, dihydrate, (S)-, MK-422 Dihydrate, enalprilat hydrate, Enalaprilat [USAN:USP:INN:BAN], Enalaprilat (USP), Vasotec I.V., AC1OCEK7, SCHEMBL37288, CHEMBL3989406, CHEBI:59877, EX-A967, HMS3715J14, HY-B0231, KS-00000XI1, s1657, AKOS025311440, CCG-213205, CS-2199, VA10805, Enalaprilat dihydrate, >=98% (HPLC), SC-22059, AB2000200, LS-118903, SW197672-2, X2108, D03769, 680E546, Z2569864568, Enalaprilat, United States Pharmacopeia (USP) Reference Standard, Enalaprilat dihydrate, European Pharmacopoeia (EP) Reference Standard, N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl-L-proline--water (1/2), Enalaprilat for system suitability, European Pharmacopoeia (EP) Reference Standard, (2S)-1-[(2S)-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid dihydrate, (2S)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]pyrrolidine-2-carboxylic acid dihydrate, (S)-1-((S)-2-((S)-1-carboxy-3-phenylpropylamino)propanoyl)pyrrolidine-2-carboxylic acid dihydrate, Enalaprilat, null, Renitec, Vasotec, Enalaprilic acid, Vasotec (TN), CID6917719, C18-H24-N2-O5.2H2-O, 1676H, B2204, B4952, A10351, 76420-72-9,

Complexity	490
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	384.19g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	384.429g/mol
Monoisotopic Mass	384.19g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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