Penicillin G procaine salt monohydrate - ≥98% , CAS No.6130-64-9

CAS: 6130-64-9 Cat. No.: P274715 Molecular Weight: 588.72 EC Number: 612-112-2 PubChem CID: 22502

GRADE & PURITY ≥98%

Synonyms

F82417 | Ampin-penicillin | Parencillin | Penicillin G procaine [USP] | Kabipenin | Penicillin G procaine (hydrate) | NOVOCAINE PENICILLIN | Penicillin G procaine (USP) | Abbocillin-DC | PROCAINI BENZYLPENICILLINUM [WHO-IP LATIN] | Aquasuspen | s5515 | Aq

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Penicillin G Procaine(PGP), a β-lactam antibiotic, is a crystalline complex produced by chemically combining penicillin G with procaine.

Specifications

Synonyms

F82417 | Ampin-penicillin | Parencillin | Penicillin G procaine [USP] | Kabipenin | Penicillin G procaine (hydrate) | NOVOCAINE PENICILLIN | Penicillin G procaine (USP) | Abbocillin-DC | PROCAINI BENZYLPENICILLINUM [WHO-IP LATIN] | Aquasuspen | s5515 | Aq

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Antibiotic. Combination of Penicillin G and Procaine. Antibacterial and antimicrobial agent. Active in vivo.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182762
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182762
• Canonical Smiles: CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.O
• IUPAC Name: 2-(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
• InChIKey: KZDCMKVLEYCGQX-UDPGNSCCSA-N
• 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
• Isomeric 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
• Alternate CAS: 54-35-3
• PubChem CID: 22502
• Molecular Weight: 588.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Penicillins N-acyl-alpha amino acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Phenylacetamides Aniline and substituted anilines Benzoyl derivatives Tertiary carboxylic acid amides Thiazolidines Carboxylic acid esters Trialkylamines Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
• Molecular Framework: Not available
• Substituents: Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Phenylacetamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Penam - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Beta-lactam - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Hemithioaminal - Thioether - Dialkylthioether - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in water
• Molecular Weight: 588.700 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 588.262 Da
• Monoisotopic Mass: 588.262 Da
• Topological Polar Surface Area: 169.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 752.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3