CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[K+]
CAS: 113-98-4
Name: potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[K+]

Molecular Processing

Molecular formula
C16H17KN2O4S
Molecular weight
372.49
Exact mass
372.0546
XLogP
-3.47
TPSA
89.54
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.438
Molar refractivity
83.18

Supplementary Information

InChIKey: IYNDLOXRXUOGIU-LQDWTQKMSA-M
Synonyme
Penicillin G potassium113-98-4Benzylpenicillin potassiumPenicillin G potassium saltPotassium benzylpenicillinPotassium penicillin GPentidsBenzylpenicillin potassium saltPenicillin G KPotassium benzylpenicillinatePfizerpenbenzylpenicilline potassiqueSugracillinCapicillinLiquapenScotcilTabilinPotassium salt of benzylpenicillinPfizerpen GPENICILLIN-2Benzylpenicillinic acid potassium saltDTXSID7045106VL775ZTH4CCHEBI:7963NSC-131815Penicillin G potassium (USP)Penicillin G potassium [USP]Penicillin G Potassium in Plastic ContainerDTXCID5025106Solu-Pen
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