AG00ILQK

37091-65-9 | Azlocillin Sodium

AG00ILQK

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CAS Number	37091-65-9
Catalog Number	AG00ILQK(AGN-PC-0RD81W)
Chemical Name	Azlocillin Sodium
EC Number	253-347-7
IUPAC Name	sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI	InChI=1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
InChI Key	UVOCNBWUHNCKJM-XFAPPKAWSA-M
MDL Number	MFCD07793330
Molecular Formula	C20H22N5NaO6S
Molecular Weight	483.4733
SMILES	O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC([C@H](NC(N3CCNC3=O)=O)C4=CC=CC=C4)=O)N1C2=O)[O-].[Na+]
UNII	DWV1EFW947
Synonyms	Azlin, Azlocillin, Azlocillin Sodium, Azlocillin, Sodium, Bay e 6905, Bay-e 6905, Baye 6905, Securopen, Sodium Azlocillin, Sodium, Azlocillin, AZLOCILLIN SODIUM, Azlocillin sodium salt, 37091-65-9, Securopen, Azlin, Monosodium azlocillin, Azlocillin (sodium salt), UNII-DWV1EFW947, Sodium azlocillin, DWV1EFW947, CHEBI:51864, MFCD07793330, C20H22N5O6SNa, EINECS 253-347-7, Azlocillin sodium [USP], Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-((R)-2-(2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, Azlin (TN), D-alpha-([Imidazolidin-2-on-1-yl]carbonylamino)benzylpenicillin, SCHEMBL192700, CHEMBL1201041, HY-B0529A, HMS2097F03, HMS3714F03, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(((((2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-, monosodium salt, (2S-(2alpha,5alpha,6beta(S*)))-, Sodium (2S-(2alpha,5alpha,6beta(S*)))-3,3-dimethyl-7-oxo-6-(((((2-oxoimidazolidin-1-yl)carbonyl)amino)phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, AKOS030526140, API0001574, CCG-220821, CS-2753, AS-13240, CC-24230, H702, D03039, J10247, C-22825, D-|A-([Imidazolidin-2-on-1-yl]carbonylamino)benzylpenicillin, sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-((R)-2-(2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, sodium 2,2-dimethyl-6beta-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylate, Azlocillinsodium, Azlocillin sodium [USAN], C20H22N5NaO6S, C20H23N5O6S.Na, CS-AN-00008, C20-H22-N5-O6-S.Na, 2851S, Sodium [2S-[2alpha,5alpha,6beta(S*)]]-3,3-dimethyl-7-oxo-6-[[[[(2-oxoimidazolidin-1-yl)carbonyl]amino]phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate,

Complexity	851
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	483.119g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	483.475g/mol
Monoisotopic Mass	483.119g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	176A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H334
Packing Group	Ⅲ
Precautionary statements	P261-P280-P342+P311
UN Code	UN 2811

Certificate of Analysis

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