AG008M2O

78712-43-3 | (E)-3-(4-((1H-Imidazol-1-yl)methyl)phenyl)acrylic acid hydrochloride

AG008M2O

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CAS Number	78712-43-3
Catalog Number	AG008M2O(AGN-PC-0UDPEZ)
Chemical Name	(E)-3-(4-((1H-Imidazol-1-yl)methyl)phenyl)acrylic acid hydrochloride
EC Number	928-470-0
IUPAC Name	(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid;hydrochloride
InChI	InChI=1S/C13H12N2O2.ClH/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15;/h1-8,10H,9H2,(H,16,17);1H/b6-5+;
InChI Key	CWKFWBJJNNPGAM-IPZCTEOASA-N
MDL Number	MFCD00911569
Molecular Formula	C13H13ClN2O2
Molecular Weight	264.7075
SMILES	O=C(O)/C=C/C1=CC=C(CN2C=CN=C2)C=C1.[H]Cl
UNII	W222U960HS
Synonyms	3-(4-(1H-imidazol-1-ylmethyl)phenyl)-2-propenoic acid, 4-(1-imidazoylmethyl)cinnamic acid, OKY 046, OKY-046, ozagrel, ozagrel, monohydrochloride, ozagrel, monohydrochloride, (E)-isomer, sodium ozagrel, ozagrel hydrochloride, OZAGREL HCl, 78712-43-3, UNII-W222U960HS, OKY-046, CHEBI:31954, W222U960HS, (E)-3-(4-((1H-Imidazol-1-yl)methyl)phenyl)acrylic acid hydrochloride, (E)-3-(4-(1H-Imidazol-1-ylmethyl)phenyl)-2-propenoic acid hydrochloride, Ozagrel hydrochloride hydrate, CPD000469164, (E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid hydrochloride, DSSTox_CID_25506, DSSTox_RID_80920, DSSTox_GSID_45506, 74003-18-2, CHEMBL542549, 2-Propenoic acid, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-, monohydrochloride, (E)-, SMR000469164, OKY 046 hydrochloride, OKY-046 hydrochloride, SR-01000597793, ozagrel-hydrochloride, OKY046 hydrochloride, ozagrel, monohydrochloride, NCGC00016937-01, CAS-78712-43-3, OKY-046 HCl, SCHEMBL36182, SCHEMBL36183, MLS001401435, MLS002222319, AC1O5P37, DTXSID9045506, C13H12N2O2.HCl.H2O, HMS1571C19, HMS3676F19, BCP09493, Tox21_110693, BN0402, MFCD06795644, s2067, AKOS015895402, Tox21_110693_1, CCG-100969, NC00219, ozagrel, monohydrochloride, (E)-isomer, NCGC00025195-06, AN-36668, DS-11967, SAM001246593, SC-22456, AB2000471, LS-123661, TL8005361, B2116, O0419, SW197369-4, A11742, C13144, A839477, I06-0662, SR-01000597793-1, SR-01000597793-4, trans-4-[(1-Imidazolyl)methyl]cinnamic Acid Hydrochloride, (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic Acid Hydrochloride, (2E)-3-[4-(1H-Imidazol-1-ylmethyl)phenyl]-2-propenoic acid hydrochloride, (E)-3-[4-(1-imidazolylmethyl)phenyl]-2-propenoic acid hydrochloride, (E)-3-[4-(Imidazol-1-ylmethyl)phenyl]propenoic Acid Hydrochloride / trans-4-[(1-Imidazolyl)methyl]cinnamic Acid Hydrochloride, 2-Propenoic acid, 3-(4-(1H-imidazol-1-ylmethyl)phenyl)-, monohydrochloride, monohydrate, (E)-, null, OKY 046, C13-H12-N2-O2.Cl-H, ACN-048764, CID6438130, CS-O-02027, Ozagrel hydrochloride hydrate, 99%, a selective thromboxane A(2) synthetase inhibitor - 1G 1g,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	264.067g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	264.709g/mol
Monoisotopic Mass	264.067g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.1A^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	\N

Certificate of Analysis

Lot Number