Procaine penicillin G - ≥98% , CAS No.54-35-3

CAS: 54-35-3 Cat. No.: P413205 Formule: C₂₉H₃₈N₄O₆S Poids moléculaire: 570.7 Numéro CE: 200-205-7 PubChem CID: 5903

GRADE & PURITY ≥98%

Synonyms

EINECS 200-205-7 | Micro-Pen | Pro-Pen-G | WHRVRSCEWKLAHX-LQDWTQKMSA-N | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(diethylamino)ethyl 4-aminobenzoate | 4-Thia-1-azabicyclo(3.2.0)heptane-2-c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Procaine penicillin G Penicillin G Procaine (PGP, Penicillin G Procaine, Bicillin C-R), a crystalline complex combining penicillin G with procaine, is a β-lactam antibiotic.

Specifications

Synonymes

EINECS 200-205-7 | Micro-Pen | Pro-Pen-G | WHRVRSCEWKLAHX-LQDWTQKMSA-N | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(diethylamino)ethyl 4-aminobenzoate | 4-Thia-1-azabicyclo(3.2.0)heptane-2-c

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Penicillin G Procaine (PGP, Penicillin G Procaine, Bicillin C-R), a crystalline complex combining penicillin G with procaine, is a β-lactam antibiotic.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

• ALogP: -0.136
• Nombre de HBD: 2
• Liaison rotative: 11

Noms et identifiants

• Pubchem Sid: 504750957
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750957
• Sourires canoniques: 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
• 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
• InChIKey: WHRVRSCEWKLAHX-LQDWTQKMSA-N
• INCHI: 1S/C16H18N2O4S.C13H20N2O2/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/t11-,12+,14-;/m1./s1
• Isomères 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
• PubChem CID: 5903
• Poids moléculaire: 570.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Phenylacetamides Thiazolidines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Azacyclic compounds Thiohemiaminal derivatives Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Not available
• Substituents: Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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: procaine(1+) salt

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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 100 mg/mL (175.22 mM); Water: 10 mg/mL (17.52 mM); Ethanol: 20 mg/mL
• DMSO (mg/mL) Solubilité maximale: 100
• DMSO (mM) Solubilité maximale: 175.223409847556
• Eau (mg/mL) Solubilité maximale: 10
• Eau (mM) Solubilité maximale: 17.5223409847556
• Poids moléculaire: 570.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 570.251 Da
• Monoisotopic Mass: 570.251 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 40
• 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: 2

XLogP3

Références

1. Hong Khanh Trung, Dang Huu Phuc, Le Hanh Ngoc Thi, Dieu Nguyen, Duyen Ky, Nguyen Quoc Thang, Nguyen Van Cuong.  (2026)  Microwave-assisted synthesis of nitrogen-doped carbon quantum dots for dual fluorescence detection of Fe³⁺ ions and oxytetracycline.  APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING,  132  (3): (226).  [PMID:] [10.1007/s00339-026-09425-1]