AG002SR6

26328-04-1 | 2-Propen-1-one, 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-, (2Z)-2-butenedioate (1:1)

AG002SR6

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CAS Number	26328-04-1
Catalog Number	AG002SR6(AGN-PC-0R2902)
Chemical Name	2-Propen-1-one, 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-, (2Z)-2-butenedioate (1:1)
IUPAC Name	(Z)-but-2-enedioic acid;(E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChI	InChI=1S/C22H31N3O5.C4H4O4/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24;5-3(6)1-2-4(7)8/h6-7,14-15H,4-5,8-13,16H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b7-6+;2-1-
InChI Key	XSTJTOKYCAJVMJ-GVTSEVKNSA-N
MDL Number	MFCD01320526
Molecular Formula	C26H35N3O9
Molecular Weight	533.5708
NSC Number	291562
SMILES	O=C(N1CCN(CC(N2CCCC2)=O)CC1)/C=C/C3=CC(OC)=C(OC)C(OC)=C3.O=C(O)/C=CC(O)=O
UNII	Y35B3VA60V
Synonyms	1-((1-pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine, 1-((1-pyrrolidynylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate, 67350-MD, cinepazide, cinepazide maleate, MD-67350 free base, Vasodistal, cinepazide maleate, 26328-04-1, Brendil, Vasodistal, UNII-Y35B3VA60V, Cinepazide (Maleate), Cinepazide maleate [JAN], Y35B3VA60V, Maleate de cinepazide [French], C22H31N3O5.C4H4O4, EINECS 247-613-1, Cinepazide maleate (JAN), NSC 291562, MD 67350, Maleate de cinepazide, 1-((1-Pyrrolidinylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate, 1-(4-((3',4',5'-Trimethoxycinnamoyl)-1-piperazinyl)acetyl)pyrrolidine maleate, 4-(3,4,5-Trimethoxycinnamoyl)-1-(1-pyrrolidinyl)carbonylmethylpiperazine maleate, 28044-44-2, MLS003115636, cinepazide-maleate, 1-((Pyrrolidin-1-ylcarbonyl)methyl)-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate, EINECS 248-795-5, Piperazine, 1-((1-pyrrolidinylcarbonyl)methyl)-4-(3',4',5'-trimethoxycinnamoyl)-, maleate, (E)-1-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one maleate, 1-(2-Oxo-2-(1-pyrrolidinyl)ethyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)piperazine (Z)-2-butenedioate (1:1), 1-(2-Oxo-2-pyrrolidin-1-ylethyl)-4-(3-(3,4,5-trimethoxyphenyl)acryloyl)piperazine monomaleate, AC1NR041, SCHEMBL1062368, MFCD01320526, NSC291562, s3045, Cinepazide maleate, >=98% (HPLC), AKOS015950975, CS-2621, NSC-291562, AS-17788, HY-66010, AB0020794, AB1007073, SW220164-1, V1807, Piperazine,4,5-trimethoxycinnamoyl)-, maleate, D01944, 328C041, Piperazine,4,5-trimethoxyphenyl)-2-propenyl]-, (Z)-2-butenedioate (1:1), (Z)-1-(4-((3',4',5'-trimethoxycinnamoyl)-1-piperazinyl)acetyl)pyrrolidinemaleate, (Z)-but-2-enedioic acid; (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, 1-(1-Pyrrolidinylcarbonyl)methyl)-4-(3 inverted exclamation mark ,4 inverted exclamation mark ,5 inverted exclamation mark -trimethoxycinnamoyl); 1-[(1-Pyrrolidinylcarbonyl)methyl]-4-(3,4,5-trimethoxycinnamoyl)piperazine maleate, 1-[(1-Pyrrolidinylcarbonyl)methyl]-4-(3,4,5-trimethoxycinnamoyl)piperazine Maleate / Vasodistal, 2-Propen-1-one, 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-, (2Z)-2-butenedioate (1:1), Piperazine, 1-(2-oxo-2-(1-pyrrolidinyl)ethyl)-4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-, (Z)-2-butenedioate (1:1) (9CI), Cinepazidemaleate, C22H31N3O5.xC4H4O4, 1-[ methyl]-4- piperazinemaleate, CID5282458, B1911, C22-H31-N3-O5.C4-H4-O4, C22-H31-N3-O5.x-C4-H4-O4, 1-(4-((3,4,5-trimethoxycinnamoyl)-1-piperazinyl)acetyl)pyrrolidine maleate, 1-[(PYRROLIDIN-1-YLCARBONYL)METHYL]-4-(3,4,5-TRIMETHOXYCINNAMOYL)PIPERAZINE MALEATE, 1-(2-oxo-2-pyrrolidin-1-ylethyl)-4-[3-(3,4,5-trimethoxyphenyl)acryloyl]piperazine monomaleate, Piperazine, 1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-, (Z)-2-butenedioate (1:1),

Complexity	705
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	533.237g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	533.578g/mol
Monoisotopic Mass	533.237g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number