AG00ILPP

135159-51-2 | Butanedioic acid, 1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester, hydrochloride (1:1)

AG00ILPP

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CAS Number	135159-51-2
Catalog Number	AG00ILPP(AGN-PC-0PKIEG)
Chemical Name	Butanedioic acid, 1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester, hydrochloride (1:1)
IUPAC Name	4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride
InChI	InChI=1S/C24H31NO6.ClH/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);1H
InChI Key	POQBIDFFYCYHOB-UHFFFAOYSA-N
MDL Number	MFCD00887582
Molecular Formula	C24H32ClNO6
Molecular Weight	465.9670
SMILES	COc1cccc(c1)CCc1ccccc1OCC(OC(=O)CCC(=O)O)CN(C)C.Cl
Synonyms	2-(dimethylamino)-1-((2-(3-methoxyphenyl)phenoxy)methyl)ethyl hydrogensuccinate hydrochloride, MCI 9042, MCI-9042, mono-(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl)succinate hydrochloride, sarpogrelate, sarpogrelate hydrochloride, 135159-51-2, Sarpogrelate HCl, Anplag, Mci 9042, MCI-9042, Sarpogrelate (hydrochloride), Sarpogrelate hydrochloride [JAN], C24H32ClNO6, DSSTox_RID_81804, DSSTox_GSID_46662, CHEMBL541829, MFCD00887582, Butanedioic acid, esters, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride, (+-)-, CAS-135159-51-2, DSSTox_CID_26662, 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid hydrochloride, Butanedioic acid 1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester hydrochloride, Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride, (+-)-, Sarpogrelate hydrochloride, 98%, 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid;hydrochloride, NCGC00167489-01, NCGC00167489-03, LS-187118, Anplag (TN), PubChem18207, sarpogrelate-hydrochloride, AC1L9FJ7, SCHEMBL120568, DTXSID8046662, CHEBI:32122, CTK8E8977, Sarpogrelate hydrochloride (JP17), BCP07360, KS-00000Z6O, Tox21_112490, CS0016, AKOS015889582, Tox21_112490_1, AC-1598, API0024284, CS-2916, H59S512, KS-5244, MCULE-9218242147, RTC-020976, AK393399, AN-14768, BC220516, HY-10564, LS-45743, LS-45767, Q641, AB1006703, AB1009627, Sarpogrelate hydrochloride, >=98% (HPLC), TC-020976, FT-0082673, FT-0602637, D01624, A806893, C-23844, I01-1945, J-006654, (+/-)-2-(Dimethylamino)-1-{[o-(m-methoxyphenethyl)phenoxy]methyl}ethyl hydrogen succinate hydrochloride, 4-(1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yloxy)-4-oxobutanoic acid hydrochloride, 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid hydrochloride, 4-[1-[(dimethylamino)methyl]-2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethoxy]-4-oxo-butanoic acid hydrochloride, 4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acid hydrochloride, Butanedioic acid 1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester hydrochloride; Succinic acid mono-(1-dimethylaminomethyl-2-(2-[2-(3-methoxyphenyl)et hyl]phenoxy)ethyl) ester hydrochloride, Succinic acid mono-(1-dimethylaminomethyl-2-(2-[2-(3-methoxyphenyl)et hyl]phenoxy)ethyl) ester hydrochloride, Succinic acid mono-(1-dimethylaminomethyl-2-(2-[2-(3-methoxyphenyl)ethyl]phenoxy)ethyl) ester hydrochloride, null, Pyriftalid, Sarpogrelate, UNII-FQN8N8QP1B, Sarpogrelatehydrochloride, FQN8N8QP1B, C24-H31-N-O6.Cl-H, CID444005, CS-O-30759, 135159-51-2 (HCl)., 125926-17-2,

Complexity	540
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	465.192g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	465.971g/mol
Monoisotopic Mass	465.192g/mol
Rotatable Bond Count	14
Topological Polar Surface Area	85.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H410
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

Lot Number