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Penicillin G procaine hydrate

CAT: 0013-GTR19203509-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203509-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Penicillin G procaine hydrate is a combination product designed for sustained release and pain reduction during administration. It is used in research involving Gram-positive bacterial infections, with applications in both in vitro susceptibility studies and in vivo animal models of infectious disease.
CAS Number
6130-64-9
Product Name Alternative
Penicillin G Procaine, PGP hydrate, PGP
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Purity
98.84% (May vary between batches)
Solubility
H2O:2 mg/mL (3.4 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (5.61 mM) ; DMSO:200 mg/mL (339.72 mM)
Smiles
C (OCCN (CC) CC) (=O) C1=CC=C (N) C=C1.C (O) (=O) [C@@H]1N2[C@@] ([C@H] (NC (CC3=CC=CC=C3) =O) C2=O) (SC1 (C) C) [H].O
Molecular Formula
C29H40N4O7S
Molecular Weight
588.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1)
CAS Number6130-64-9
PubChem CID22502
IUPAC Name2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate
Molecular FormulaC29H40N4O7S
Molecular Weight588.7
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity752
SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O
InChI
InChI=1S/C16H18N2O4S.C13H20N2O2.H2O/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;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2/t11-,12+,14-;;/m1../s1
InChIKey
KZDCMKVLEYCGQX-UDPGNSCCSA-N
Chemical Structure
2D Structure
2D structure of 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1)
CAS: 6130-64-9
CID: 22502
Formula: C29H40N4O7S
MW: 588.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass588.26177080
Monoisotopic Mass588.26177080
Topological Polar Surface Area169 Ų
Heavy Atom Count41
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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