![Chemical structure of (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid potassium salt, CAS 113-98-4](https://api.angenesci.com/structure/3392/113-98-4.png)
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| CAS Number | 113-98-4 |
| Catalog Number | AG00ILJV(AGN-PC-0P5O11) |
| Chemical Name | (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid potassium salt |
| IUPAC Name | potassium;(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.K/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 | IYNDLOXRXUOGIU-LQDWTQKMSA-M |
| MDL Number | MFCD00036193 |
| Molecular Formula | C16H17KN2O4S |
| Molecular Weight | 372.4805 |
| SMILES | O=[C@]([C@@H](C(C)(C)S[C@@]([H])1[C@@H]2NC(CC3=CC=CC=C3)=O)N1C2=O)[O-].[K+] |
| UNII | VL775ZTH4C |
| 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 potassium,
113-98-4,
Benzylpenicillin potassium,
Potassium benzylpenicillin,
Benzylpenicillin potassium salt,
Penicillin G K,
Potassium penicillin G,
Penicillin G potassium salt,
benzylpenicilline potassique,
Potassium benzylpenicillinate,
Potassium salt of benzylpenicillin,
Pfizerpen G,
Penicillin G (potassium),
UNII-VL775ZTH4C,
PENICILLIN-2,
CHEBI:7963,
SK-Penicillin G,
Penicillin potassium G, crystalline,
Penicillin,
Pfizerpen,
VL775ZTH4C,
Pentids '200',
Penicillin G potassium [USP],
MLS000069426,
Potassium benzylpenicillin G,
6beta-phenylacetamidopenicillanic acid potassium salt,
MFCD00036193,
Pentids,
Cilloral potassium salt,
Cosmopen potassium salt,
SMR000059004,
Benzylpenicillinic acid potassium salt,
potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate,
PENTIDS '250',
PENTIDS '400',
PENTIDS '800',
Potassium 6-(phenylacetamido)penicillanate,
Penicillin G potassium (USP),
Penicillin G Potassium in Plastic Container,
Benzylpenicilline potassique [DCF],
EINECS 204-038-0,
Novocillin vet.,
NSC 131815,
61-33-6 (FREE ACID),
penicilline,
Pfizerpen (TN),
AI3-50119,
Penicilline G potassium,
Opera_ID_1649,
potassium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate,
Epitope ID:140781,
CHEMBL1223,
DSSTox_CID_25106,
DSSTox_RID_80673,
DSSTox_GSID_45106,
SCHEMBL34078,
MLS001076462,
SPECTRUM1500465,
potassium benzylpenicillin(1-),
DTXSID7045106,
HMS500P18,
UEthCaA(1)EO (1/4)ONI,
IYNDLOXRXUOGIU-LQDWTQKMSA-M,
Penicillin potassium G crystalline,
HMS1920F12,
HMS2091N12,
HMS2234C21,
Benzylpenicillin potassium (JP17),
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-, monopotassium salt,
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((2-phenylacetyl)amino)- (2S,5R,6R)-, potassium salt (1:1),
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S,5R,6R)-, monopotassium salt,
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, monopotassium salt, (2S-(2alpha,5alpha,6beta))-,
BCP14289,
Monopotassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate,
Potassium (2S-(2alpha,5alpha,6beta))-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate,
Tox21_110044,
CCG-39599,
AKOS008145411,
CS-3873,
MCULE-7644229995,
NCGC00014313-01,
AC-14408,
CAS-113-98-4,
CC-33871,
CPD000059004,
E705,
HY-17591,
SAM002548944,
AB1009476,
Penicillin G potassium salt, ~1600 U/mg,
FT-0603312,
P1772,
D01053,
Penicillin G potassium salt, >=98.0% (HPLC),
C-21186,
I06-1083,
W-108609,
Penicillin G potassium salt, powder, mouse embryo tested,
Z803129904,
Penicillin G potassium salt, VETRANAL(TM), analytical standard,
Penicillin G Potassium, Antibiotic for Culture Media Use Only,
Benzylpenicillin potassium, European Pharmacopoeia (EP) Reference Standard,
Penicillin G potassium salt, meets USP testing specifications, powder,
Penicillin G potassium salt, powder, BioReagent, suitable for cell culture,
Penicillin G potassium, United States Pharmacopeia (USP) Reference Standard,
potassium 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate,
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-,monopotassium salt,
Benzylpenicillin potassium salt; potassium [2S-(2|A,5|A,6|A)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate,
Capicillin,
Eskacillin,
Hipercilina,
Sugracillin,
Cintrisul,
Cristapen,
Liquapen,
Falapen,
Hyasorb,
Hylenta,
Lemopen,
Monopen,
Notaral,
Penalev,
Penisem,
Scotcil,
Tabilin,
Cillin,
Forpen,
Pentid,
Tu Cillin,
C-Cillin,
Paclin G,
Qidpen G,
Benzylpenicillin,
Megacillin tablets,
Van-Pen-G,
Penicllin G Potassium Crude,
Penicillin G Potassium [USAN],
C16H18N2O4S.K,
DRG-0128,
CID443084,
C16-H18-N2-O4-S.K,
CS-O-00965,
Penicillin G Potassium /Benzylpenicillin Potassium(sterile),
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)- (2S-(2alpha,5alpha,6beta))-, monopotassium salt,
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- (2S,5R,6R)-, monopotassium 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.)]-, monopotassium salt,
potassium [2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate,
Potassium 3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azbicyclo[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 | 372.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.48g/mol |
| Monoisotopic Mass | 372.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H317 |
| Packing Group | |
| Precautionary statements | P280 |
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