AG00364G

69-57-8 | Sodium 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

AG00364G

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CAS Number	69-57-8
Catalog Number	AG00364G(AGN-PC-0TW5UN)
Chemical Name	Sodium 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC Name	sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
InChI	InChI=1S/C16H18N2O4S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1
InChI Key	FCPVYOBCFFNJFS-LQDWTQKMSA-M
MDL Number	MFCD00069666
Molecular Formula	C16H17N2NaO4S
Molecular Weight	356.3719
SMILES	O=C([C@@H](C(C)(C)S[C@]1([H])[C@@H]2NC(CC3=CC=CC=C3)=O)N1C2=O)[O-].[Na+]
UNII	YS5LY7JF4N
Synonyms	Benpen, Benzylpenicillin, Benzylpenicillin Potassium, Coliriocilina, Crystapen, Or-pen, Parcillin, Pekamin, Pengesod, Penibiot, Penicilina G Llorente, Penicillin G, Penicillin G Jenapharm, Penicillin G Potassium, Penicillin G Sodium, Penicillin Grünenthal, Penilevel, Peniroger, Pfizerpen, Sodiopen, Sodipen, Sodium Benzylpenicillin, Sodium Penicillin, Unicilina, Ursopen, Van-Pen-G, Penicillin G sodium, Penicillin G sodium salt, 69-57-8, Benzylpenicillin sodium, Crystapen, American penicillin, Pencillin G sodium, Sodium penicillin G, BENZYLPENICILLIN SODIUM SALT, Sodium penicillin, Sodium benzylpenicillinate, Sodium penicillin II, Mycofarm, Novocillin, Penilaryn, Veticillin, Sodium benzylpenicillin, Kesso-Pen, Pen-A-Brasive, Sodium benzylpenicillin G, Monosodium benzylpenicillin, Benzylpenicillinic acid sodium salt, Penicillin G, sodium, Sugracillin sodium salt, Penicillin G Sodium, Crystalline, Sodium benzylpenicyllinate, UNII-YS5LY7JF4N, Penicillin-G, monosodium salt, Sodium 6-(phenylacetamido)penicillanate, EINECS 200-710-2, OK 431, YS5LY7JF4N, Penicillin, NSC 402815, Penicillin G sodium [USP], CHEBI:51765, MFCD00069666, Penicillin G sodium (USP), 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2S-(2alpha,5alpha,6beta))-, monosodium salt, Monosodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, PenicillinGsodiumsalt, Penicillin G sodium salt, 98%, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-, monosodium salt, Sodium (2S-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate, 61-33-6 (FREE ACID), Penicillin G Sodium [USAN], CHEMBL1126, benzylpenicillin-sodium, Penicillin G sodium (TN), sodium benzylpenicillin(1-), C16H17N2NaO4S, SCHEMBL34218, C16H17N2O4S.Na, DTXSID6040581, KS-00000WAN, BIP0142, BENZYL PENICILLIN POTASSIUM, FCPVYOBCFFNJFS-LQDWTQKMSA-M, ZX-AFC000647, Benzylpenicillin sodium salt AAENI, HMS1571G18, HMS2098G18, HMS3715G18, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, monosodium salt, HY-B1463, s4160, AKOS015961217, CCG-221078, CS-7971, LS-1587, CAS-69-57-8, NCGC00017015-01, Penicillin G sodium salt, ~1650 U/mg, AC-13436, AN-23784, E706, K162, SC-16403, Penicillin G sodium salt, 96.0-102.0%, FT-0603271, P1770, SW197252-3, D05408, P-1200, F0001-2583, Pencillin G sodium salt, Antibiotic for Culture Media Use Only, sodium 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate, Benzylpenicillin sodium, European Pharmacopoeia (EP) Reference Standard, Penicillin G sodium salt, powder, BioReagent, suitable for cell culture, Penicillin G sodium, United States Pharmacopeia (USP) Reference Standard, PENICILLIN G, SODIUM SALT (ALSO SEE: 1538-09-6 BENZATHINE PEN. G), 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2 alpha,5 alpha,6 beta)]-, monosodium salt, sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate, Sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0] heptane-2-carboxylate, Benzylpenicillin, Mixture Name, Crystifor 400, D0K5OT, C16H18N2O4S.Na, CID6250, C16-H18-N2-O4-S.Na, CS-T-38837, Penicillin G sodium salt/Benzylpenicillin Sodium(sterile), 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, monosodium salt, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, monosodium salt, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2.alpha.,5.alpha.,6.beta.)]-, monosodium salt, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2alpha,5alpha,6beta)]-, monosodium salt, 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-(2S,5R,6R)-, monosodium salt, natrium-[2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptan-2-carboxylat, Sodium [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate,

Complexity	536
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	356.081g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	356.372g/mol
Monoisotopic Mass	356.081g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	115A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

Lot Number