AG0039LX

69388-84-7 | 4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLICACID, 3,3-DIMETHYL-7-OXO-, 4,4-DIOXIDE, SODIUM SALT, (2S,5R)- (9CI)

AG0039LX

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CAS Number	69388-84-7
Catalog Number	AG0039LX(AGN-PC-0TVL5V)
Chemical Name	4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLICACID, 3,3-DIMETHYL-7-OXO-, 4,4-DIOXIDE, SODIUM SALT, (2S,5R)- (9CI)
EC Number	273-984-4
IUPAC Name	sodium;(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI	InChI=1S/C8H11NO5S.Na/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14;/h5-6H,3H2,1-2H3,(H,11,12);/q;+1/p-1/t5-,6+;/m1./s1
InChI Key	NKZMPZCWBSWAOX-IBTYICNHSA-M
MDL Number	MFCD01750374
Molecular Formula	C8H10NNaO5S
Molecular Weight	255.2235
SMILES	O=C([C@@H](C(C)(C)S([C@]1([H])C2)(=O)=O)N1C2=O)[O-].[Na+]
UNII	DKQ4T82YE6
Synonyms	Bétamaze, Combactam, CP 45899, CP-45899, CP45899, Penicillanic Acid Sulfone, Sodium, Sulbactam, Sulbactam, Sulbactam Sodium, Sulfone, Penicillanic Acid, SULBACTAM SODIUM, 69388-84-7, Sodium sulbactam, Sulbactam sodium salt, Combactam, CP 45899 sodium salt, UNII-DKQ4T82YE6, Penicillanic acid dioxide sodium salt, Penicillanic acid sulfone sodium salt, DKQ4T82YE6, CP-458992, CP 45899-2, Sulbactam natrium, CP-45899-2, Sulbactam sodium (Unasyn), EINECS 273-984-4, Penicillanic acid 1,1-dioxide sodium salt, Sulbactam sodium [USAN:USP:JAN], SODIUM (2S-CIS)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE 4,4-DIOXIDE, Penicillanic acid 1, sulbactam-sodium-unasyn, CP 45899 sodium, SCHEMBL667857, Sulbactam sodium (JP17/USP), CHEMBL1200944, BIS0150, NKZMPZCWBSWAOX-IBTYICNHSA-M, ZX-AFC000815, HMS3651H07, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide, sodium salt, (2S-cis)-, EBD34157, KS-00000XO4, Sodium (2S-cis)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4,4-dioxide, GP3240, AKOS015963378, AB09900, AN-6526, API0004199, AC-20083, Penicillanic acid S,S-dioxide sodium salt, AB2000648, FT-0630786, S2551, CP-45,899-2, C14001, D02223, W-104633, Sulbactam Sodium, Antibiotic for Culture Media Use Only, (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l;{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, (2S,5R)-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, 4,4-dioxide sodium salt, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3- dimethyl-7-oxo-, 4,4-dioxide, sodium salt, (2S-cis)-, sodium (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Sodium (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo [3.2.0]heptane-2-carboxylate 4,4-dioxide, Unasyn, Sulbactamsodium, Sulbactum sodium, SODIUM, Sodium 1,1-dioxopenicillanate, C8H11NO5S.Na, Sodium penicillanate 1,1-dioxide, Sulbactam sodium [USAN:JAN], C8-H11-N-O5-S.Na, Sulbactam sodium, 88% - 1G 1g, CID656840, MFCD00867005, CS-O-02299, B2035, 76497-13-7, Sodium (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate 4,4-dioxide, Sodium; 3,3-dimethyl-4,4,7-trioxo-4l6-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate, 68373-14-8, SBT,

Complexity	452
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	255.018g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.22g/mol
Monoisotopic Mass	255.018g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	103A^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

Certificate of Analysis

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