AG007HPY

153-61-7 | (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

AG007HPY

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CAS Number	153-61-7
Catalog Number	AG007HPY(AGN-PC-0Q6KHA)
Chemical Name	(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
EC Number	205-815-7
IUPAC Name	(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChI	InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1
InChI Key	XIURVHNZVLADCM-IUODEOHRSA-N
MDL Number	MFCD00242614
Molecular Formula	C16H16N2O6S2
Molecular Weight	396.4380
SMILES	O=C(C(N12)=C(COC(C)=O)CS[C@]2([H])[C@H](NC(CC3=CC=CS3)=O)C1=O)O
UNII	R72LW146E6
Synonyms	Cefalotin, Cefalotina Normon, Cefalotina Sodica Spaly, Ceftina, Cephalothin, Cephalothin Monosodium Salt, Cephalothin, Sodium, Keflin, Monosodium Salt, Cephalothin, Salt, Cephalothin Monosodium, Seffin, Sodium Cephalothin, cephalothin, Cefalotin, 153-61-7, Cephalotin, Cefalothin, Cephalothinum, Cefalotina, Cefalotine, Cefalotinum, Cemastin, (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Coaxin, Seffin, Averon-1, Keflin, Cefalotine [INN-French], Cefalotinum [INN-Latin], Cefalotina [INN-Spanish], 7-(2-Thienylacetamido)cephalosporanic acid, 7-(Thiophene-2-acetamido)cephalosporin, 7-(Thiophene-2-acetamido)cephalosporanic acid, UNII-R72LW146E6, 7-(2-(2-Thienyl)acetylamido)cephalosporanic acid, 3-Acetoxymethyl-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid, HSDB 3024, C16H16N2O6S2, CHEBI:124991, EINECS 205-815-7, BRN 0945586, MLS001048966, (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-(thiophen-2-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 6R-trans-3-((Acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-carboxylic acid, R72LW146E6, (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-(Acetoxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(Hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid acetate, NCGC00159332-02, SMR000386987, 7-(2'-thienylacetamido)cephalosporanic acid, DSSTox_CID_2783, DSSTox_RID_76728, DSSTox_GSID_22783, 3-ACETOXYMETHYL-8-OXO-7-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-, (6R-trans)-, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-, acetate (ester), Cephalothin Monosodium Salt, Cefalotin (BAN), (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2, (6R,7R)-3-(acetoxymethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, (6R,7R)-, CAS-153-61-7, Cefalotina fabra (TN), 7-(2-thienylacetamido)-cephalosporanic acid, 4kox, Cefalotin [INN], 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-8-oxo-7-((2-thienylacetyl)amino)-, (6R,7R)-, C07761, Spectrum_000110, AC1L1LMU, Prestwick0_000719, Prestwick1_000719, Prestwick2_000719, Prestwick3_000719, Spectrum2_000121, Spectrum3_000332, Spectrum4_000269, Spectrum5_000669, CHEMBL617, Epitope ID:116207, cid_6024, SCHEMBL2990, Lopac0_000283, BSPBio_000937, BSPBio_001963, KBioGR_000738, KBioSS_000550, DivK1c_000097, SPBio_000162, SPBio_002858, BPBio1_001031, GTPL8798, DTXSID4022783, SCHEMBL20477170, BDBM82898, CTK0I1695, KBio1_000097, KBio2_000550, KBio2_003118, KBio2_005686, KBio3_001183, NINDS_000097, XIURVHNZVLADCM-IUODEOHRSA-N, HMS2267P23, ZINC3830507, Tox21_111579, MFCD00242614, AKOS015920120, Tox21_111579_1, ACN-045431, AN-8313, CS-W008776, DB00456, GS-3577, 7beta-(thiophen-2-ylacetamido)-3-acetoxymethyl-3,4-didehydrocepham-4-carboxylic acid, IDI1_000097, NCGC00023699-09, (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, AJ-45761, BR-72984, SC-18881, SBI-0050271.P004, 7-(2-thienylacetamido) cephalosporanic acid, LS-150069, ST2408077, 7-(2-THIENYLACETAMIDO)CEPHALOSPORANIC, FT-0653512, D07635, S-1796, 153C617, Cephalothin, Antibiotic for Culture Media Use Only, SR-01000003118, SR-01000003118-3, BRD-K28210218-236-05-7, Z1741977144, 3-acetoxymethyl-7beta-(2-thienylacetamido) ceph-3-em-4-carboxylic acid, 3-acetoxymethyl-7beta-(2-thienylacetamido)-3-cephem-4-carboxylic acid, 3-Acetoxymethyl-7beta-(2-thienylacetamido)ceph-3-em-4-carboxylic acid, (6R,7R)-3-(acetoxymethyl)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[(thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 3-[(acetyloxy)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-, (6R,7R)-, cefalotin sodium, Ceftina, Cefalotina fabra, Cefalotina Normon, Sodium cephalothin, Cephalothin, Sodium, Keflin (TN), CEPHALOTHIN SODIUM, Cephalothin sodium salt, Cefalotina Sodica Spaly, D01PLN, Monosodium Salt, Cephalothin, Salt, Cephalothin Monosodium, CID6024, C16-H16-N2-O6-S2, C2769, C-2484, D002512, CLS, CET, CT, (7R)-3-(acetoxymethyl)-7-[2-(2-thienyl)acetamido]-3-cephem-4-carboxylic acid, (6R,7R)-3-(Acetoxymethyl)-8-oxo-7-(2-(thiophen-2-yl)acetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-8-oxo-7-[(2-thienylacetyl)amino]-, (6R-trans)-, 58-71-9,

Complexity	680
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	396.045g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	396.432g/mol
Monoisotopic Mass	396.045g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	167A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

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