AG00IMLM

37091-66-0 | 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]-, [2S-[2a,5a,6b(S*)]]-

AG00IMLM

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CAS Number	37091-66-0
Catalog Number	AG00IMLM(AGN-PC-0RD82I)
Chemical Name	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]-, [2S-[2a,5a,6b(S*)]]-
EC Number	253-348-2
IUPAC Name	(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-carboxylic acid
InChI	InChI=1S/C20H23N5O6S/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)/t11-,12-,13+,16-/m1/s1
InChI Key	JTWOMNBEOCYFNV-NFFDBFGFSA-N
MDL Number	MFCD00864967
Molecular Formula	C20H23N5O6S
Molecular Weight	461.4915
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
UNII	HUM6H389W0
Synonyms	Azlin, Azlocillin, Azlocillin Sodium, Azlocillin, Sodium, Bay e 6905, Bay-e 6905, Baye 6905, Securopen, Sodium Azlocillin, Sodium, Azlocillin, azlocillin, Azlocilina, Azlocilline, Azlocillinum, 37091-66-0, Securopen, Azlin, UNII-HUM6H389W0, CHEBI:2956, Azlocilina [INN-Spanish], Azlocilline [INN-French], Azlocillinum [INN-Latin], HUM6H389W0, (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-carboxylic acid, EINECS 253-348-2, 6-((R)-2-(2-Oxoimidazolidin-1-carboxamido)-2-phenylacetamido)penicillansaeure, (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-carboxylic acid, Azlocillin (USAN/INN), Azlocillin [USAN:INN:BAN], 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)-, (2S-(2alpha,5alpha,6beta(S*)))-, Prestwick3_000821, Epitope ID:141185, CHEMBL1537, SCHEMBL34150, BSPBio_000741, AC1O580A, BPBio1_000817, JTWOMNBEOCYFNV-NFFDBFGFSA-N, KS-00000FO9, ZINC3830261, AKOS025402328, AC-8140, API0007286, DB01061, DS-3291, (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-carboxylic acid, 2,2-dimethyl-6beta-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylic acid, 91A659, C06839, D02339, BRD-K60663764-236-02-1, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[[[((R)-2-oxo-1-imidazolidinyl)carbonyl]amino]phenylacetyl]amino]-, (2S,5R,6R)-, 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]-, [2S-[2a,5a,6b(S*)]]-, Sodium azlocillin, AZLOCILLIN SODIUM, Azlocillin, Sodium, Sodium, Azlocillin, Azlocillin sodium salt, Monosodium azlocillin, Azlocillin sodium [USP], Bay-e 6905, Bayer Brand of Azlocillin, Azlocillin sodium [USAN], Baye 6905, D0PA2N, UNII-DWV1EFW947, Azlocillin [USAN:BAN:INN], Azlocillin Sodium (Sterile), Bay e 6905, C20H22N5NaO6S, C20H23N5O6S, C20H23N5O6S.Na, C20-H22-N5-O6-S.Na, EINECS 253-347-7, C20-H23-N5-O6-S, CID6479523, CS-O-00200, D001390, 37091-65-9, D-alpha-[(imidazolidin-2-on-1-yl)carbonylamino]benzyl-peni-cillin, (2R,5R,6S)-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-carboxylic acid, (2R,5S,6S)-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-carboxylic acid, (2r,5s,6s)-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-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2S)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, (2S,5S,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-carboxylic acid, (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-carboxylic acid, (6R)-3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-{[{[(2-oxoimidazolidin-1-yl)carbonyl]amino}(phenyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 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]-, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-, 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, 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	844
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	461.137g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	461.493g/mol
Monoisotopic Mass	461.137g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	173A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number