AG01CCMS

29457-07-6 | disodium (2S,5R,6R)-6-[(2R)-2-carboxylato-2-(thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

AG01CCMS

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CAS Number	29457-07-6
Catalog Number	AG01CCMS(AGN-PC-0R52SU)
Chemical Name	disodium (2S,5R,6R)-6-[(2R)-2-carboxylato-2-(thiophen-3-yl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
EC Number	249-642-5
IUPAC Name	disodium;(2S,5R,6R)-6-[[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI	InChI=1S/C15H16N2O6S2.2Na/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6;;/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23);;/q;2*+1/p-2/t7-,8-,9+,12-;;/m1../s1
InChI Key	ZBBCUBMBMZNEME-QBGWIPKPSA-L
MDL Number	MFCD07787410
Molecular Formula	C15H14N2Na2O6S2
Molecular Weight	428.3910
SMILES	[Na+].[Na+].CC1([C@H](C([O-])=O)N2[C@@H]([C@@H](C2=O)NC([C@@H](C2=CSC=C2)C([O-])=O)=O)S1)C
UNII	G8TVV6DSYG
Synonyms	BRL 2288, BRL-2288, BRL2288, Disodium, Ticarcillin, Tarcil, Ticar, Ticarcillin, Ticarcillin Disodium, Ticarpen, Ticillin, ticarcillin sodium, Ticarpen, TICARCILLIN DISODIUM, Aerugipen, Monapen, Ticar, UNII-G8TVV6DSYG, Ticarcillin disodium salt, 4697-14-7, G8TVV6DSYG, BRL 2288, Disodium Ticarcillin, CHEBI:35017, NCGC00017046-01, CAS-4697-14-7, 29457-07-6, 74682-62-5, BRL-2288, MFCD07787410, Aerugipen hydrate, disodium (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-3-oxidanidyl-3-oxidanylidene-2-thiophen-3-yl-propanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, disodium (2S,5R,6R)-6-[[(2R)-2-carboxylato-1-oxo-2-(3-thiophenyl)ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, N-(2-Carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-3-thiophenemalonamic acid disodium salt, EINECS 249-642-5, Ticar (TN), AC1LAKYM, Ticarcillin sodium (JAN), Ticarcillin disodium (USP), DSSTox_CID_25561, DSSTox_RID_80958, DSSTox_GSID_45561, SCHEMBL41224, CHEMBL1200855, BIT0186, ZX-AFC000251, HMS1571E16, Ticarcillin disodium salt, >=95%, (2S,5R,6R)-6-[[(2R)-CARBOXY-3-THIENYLACETYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID DISODIUM SALT, Tox21_110756, AKOS027276160, AB 2288, API0004413, CC-35060, C14021, D02241, 29457-07-6,34787-01-4(freebase), A822398, A827122, C-22212, Ticarcillin Disodium Salt (Contain 10% Methanol), (2S,5R,6R)-6-[[(2R)-3-hydroxy-3-oxo-2-(3-thienyl)propanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, disodium (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-3-oxido-3-oxo-2-thiophen-3-ylpropanoyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, disodium (2S,5R,6R)-6-{[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Disodium (2S-(2alpha,5alpha,6beta(S*)))-6-(carboxylato-3-thienylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, disodium 6beta-{[(2R)-2-carboxylato-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylate, sodium (2S,5R,6R)-6-((R)-2-carboxylato-2-(thiophen-3-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Ticillin, Ticarcillinsodium, TICARCILLIN, Ticarcillin monosodium, D-Ticarcillin sodium salt, UNII-SM6JM116PM, Ticarcillin disodium [USAN], Ticarcillin monosodium anhydrous, C15H14N2O6S2.2Na, C15H16N2O6S2.2Na, Ticarcillin disodium [USAN:USP], 4697-14-7 (sodium salt), CID470375, CS-O-08300, C15-H14-N2-O6-S2.2Na, C15-H16-N2-O6-S2.2Na, 34787-01-4, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(carboxy-3-thienylacetyl)amino]-3,3-dimethyl-7-oxo-, disodium salt, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-, Disodium [2S-[2alpha,5alpha,6beta(S*)]]-6-(carboxylato-3-thienylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate,

Complexity	629
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	428.009g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	428.385g/mol
Monoisotopic Mass	428.009g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	183A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number