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Penicillin G sodium

CAT: 0926-AP36505-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-AP36505-01Size:0.25 kg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69-57-8
MDL Number
MFCD00069666
Smiles
CC1 ([C@@H] (N2[C@H] (S1) [C@@H] (C2=O) NC (=O) CC3=CC=CC=C3) C (=O) [O-]) C.[Na+]
Molecular Formula
C16H17N2NaSO4
Molecular Weight
356.37 g/mol
Controlled
No

Chemical Information

Penicillin G Sodium

Benzylpenicillin sodium is an organic sodium salt. It contains a benzylpenicillin(1-).

CAS Number69-57-8
PubChem CID23668834
IUPAC Namesodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC16H17N2NaO4S
Molecular Weight356.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity536
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[Na+]
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
InChIKey
FCPVYOBCFFNJFS-LQDWTQKMSA-M
Chemical Structure
2D Structure
2D structure of Penicillin G Sodium
CAS: 69-57-8
CID: 23668834
Formula: C16H17N2NaO4S
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass356.08067248
Monoisotopic Mass356.08067248
Topological Polar Surface Area115 Ų
Heavy Atom Count24
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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