AG00387A

113479-65-5 | 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester, HCl

AG00387A

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CAS Number	113479-65-5
Catalog Number	AG00387A(AGN-PC-0P4WH5)
Chemical Name	7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester, HCl
EC Number	601-254-0
IUPAC Name	(4-methoxyphenyl)methyl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
InChI	InChI=1S/C16H17ClN2O4S.ClH/c1-22-11-4-2-9(3-5-11)7-23-16(21)13-10(6-17)8-24-15-12(18)14(20)19(13)15;/h2-5,12,15H,6-8,18H2,1H3;1H/t12-,15-;/m1./s1
InChI Key	LYIIGHOYDRRHAJ-XRZFDKQNSA-N
MDL Number	MFCD00191255
Molecular Formula	C16H18Cl2N2O4S
Molecular Weight	405.2961
SMILES	O=C(C(N12)=C(CCl)CS[C@]2([H])[C@H](N)C1=O)OCC3=CC=C(OC)C=C3.[H]Cl
Synonyms	113479-65-5, 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester hydrochloride, (6R,7R)-4-Methoxybenzyl 7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride, (4-methoxyphenyl)methyl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride, C16H17ClN2O4S.HCl, LYIIGHOYDRRHAJ-XRZFDKQNSA-N, PubChem19491, SCHEMBL3108183, CTK0H0436, DTXSID70554722, EBD7852, 7-Amino-3 chloromethyl-3-cephem-4-carboxylic Acid p-Methoxybenzyl Ester Hydrochloride, 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester, HCl, (6R,7R)-7-Amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester hydrochloride, MFCD00191255, AKOS007930461, GS-3595, BR-32876, S540, AB0018673, ST24029864, M-1060, 479A655, J-002968, 4-methoxybenzyl 7 beta-amino-3-chloromethyl-ceph-3-em-4-carboxylate hydrochloride, 4-methoxybenzyl 7beta-amino-3-chloromethyl-3-cephem-4-carboxylate hydrochloride, (4-methoxyphenyl)methyl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate,hydrochloride, (4-Methoxyphenyl)methyl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate--hydrogen chloride (1/1), (6R,7R)-4-METHOXYBENZYL 7-AMINO-3-(CHLOROMETHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE HCL, EC 601-254-0, 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acidp-methoxybenzyl ester hydrochloride, 4-Methoxybenzyl (6R,7R)-7-amino-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate hydrochloride (1:1), 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, hydrochloride,(1:1), (6R,7R), 7-AMINO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLIC ACID P-METHOXYBENZYL ESTER, HYDROCHLORIDE,

Complexity	548
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	404.036g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	405.29g/mol
Monoisotopic Mass	404.036g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number