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)
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![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) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fb12394c1ec94774a83b16d5c165b523.png "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)")
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)
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CAS No:
6130-64-9
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Formula:
C16H18N2O4S.C13H20N2O2.H2O
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Chemical Name:
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)
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Synonyms:
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);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-,compd. with 2-(diethylamino)ethyl p-aminobenzoate (1:1),monohydrate;4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2α,5α,6β)]-,compd. with 2-(diethylamino)ethyl 4-aminobenzoate (1:1),monohydrate;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 (1:1),monohydrate;Benzoic acid,p-amino-,2-(diethylamino)ethyl ester,mono[3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate],monohydrate;Benzoic acid,4-amino-,2-(diethylamino)ethyl ester,mono[[2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate],monohydrate;Benzoic acid,4-amino-,2-(diethylamino)ethyl ester,mono[(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate],monohydrate;Benzylpenicillin procaine monohydrate;Procaine penicillin G hydrate;Procaine penicillin G monohydrate;8046-81-9;8048-85-9;8049-40-9;19696-42-5;56532-61-7;56829-50-6;62476-67-9
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CAS No:
Description
Penicillin G Procaine(PGP), a β-lactam antibiotic, is a crystalline complex produced by chemically combining penicillin G with procaine[1][2].
Penicillin G Procaine is the procaine salt form of penicillin G, a broad-spectrum, beta-lactam, naturally occurring penicillin antibiotic with antibacterial activity. Penicillin G binds to and inactivates the penicillin binding proteins (PBPs) located inside the bacterial cell wall. Inactivation of PBPs interferes with the cross-linkage of peptidoglycan chains necessary for bacterial cell wall strength and rigidity. This interrupts bacterial cell wall synthesis and results in the weakening of the bacterial cell wall, eventually causing cell lysis.|Semisynthetic antibiotic prepared by combining penicillin G with PROCAINE.
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) Basic Attributes
588.72
589.27000
612-112-2
17R794ESYN
DTXSID40210207
C87370
2941102000
Characteristics
187.80000
3.37270
1.255-1.256 g/cm3 (20ºC)
106-110° (with decompn)
663.3ºC at 760 mmHg
355ºC
Keep container tightly closed.
LD50 s.c. in mice: 2.3 g/kg (Soehring)
Safety Information
NONH for all modes of transport
42/43
36
XH9450000
Xn
Stable at normal temperatures and pressures.
P280
H317
|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|Aggregated GHS information provided by 155 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)
Benzylpenicillin Procaine
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) Use and Manufacturing
Procaine Penicillin G is a composed of the β-lactam antibiotic of Penicillin G and the sodium channel blocker Procaine. As an antibiotic, Penicillin G is noted to posses effectiveness mainly against gram-positive organisms. Procaine Penicillin G is used a growth stimulant for poultry.
Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients
Computed Properties
Molecular Weight:588.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:588.26177080
Monoisotopic Mass:588.26177080
Topological Polar Surface Area:169
Heavy Atom Count:41
Complexity:752
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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