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Procaine penicillin G - 10mM in DMSO, high purity , CAS No.54-35-3

COA

Grade & Purity:

10mM in DMSO

Cas Number: 54-35-3
Molecular Weight: 570.7
PubChem CID: 5903

In stock

Item Number

P424635

Grouped product items
SKU	Size	Availability	Price	Qty
P424635-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$172.90

Antibiotics Inhibitors

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Bacterial (3013) Compound libraries (12325)

Basic Description

Synonyms	Procaine penicillin G \| 54-35-3 \| Hostacillin \| Hydracillin \| Duphapen \| Procaine Benzylpenicillin \| Depocillin \| Nopcaine \| Retardillin \| Vitablend \| Vetspen \| Jenacillin O \| Micro-Pen \| Penicillin procaine \| Penzal N 300 \| Procaine benzylpenicillinate \| Benzylpenicillin novocaine salt
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Penicillin G Procaine (PGP, Penicillin G Procaine, Bicillin C-R), a crystalline complex combining penicillin G with procaine, is a β-lactam antibiotic.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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.

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 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
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

Product Properties

ALogP	-0.136
HBD Count	2
Rotatable Bond	11

Names and Identifiers

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
INCHI	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
InChIKey	WHRVRSCEWKLAHX-LQDWTQKMSA-N
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
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
PubChem CID	5903
Molecular Weight	570.7

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	100
DMSO(mM) Max Solubility	175.223409847556
Water(mg / mL) Max Solubility	10
Water(mM) Max Solubility	17.5223409847556
Molecular Weight	570.700 g/mol
XLogP3
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 Å²
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

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