Penicillin G procaine

C29H38N4O6SCAS 54-35-3570.71 g/mol

Open in Covalent MOL file
SNHOONOOHNOONH2
AmideCarboxylic acidEsterLactamPrimary amineSulfideTertiary amine

Properties

Molecular formula
C29H38N4O6S
Molar mass
570.71 g/mol
Exact mass
570.2512 Da
Melting point
129–130 °C
logP
3.47Crippen estimate
Polar surface area
145.8 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
10
Stereocentres
R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
54-35-3
SMILES
CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1
InChIKey
WHRVRSCEWKLAHX-LQDWTQKMSA-N
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

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Names and synonyms

63 names · show all
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]- (2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate (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)
  • 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)
  • 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)
  • 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]
  • 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]
  • Hydracillin
  • Jenacillin O
  • Benzylpenicillin novocaine salt
  • Nopcaine
  • Micro-pen
  • Procaine benzylpenicillinate
  • Procaine penicillin G
  • Penzal N 300
  • Hostacillin
  • Vitablend
  • Vetspen
  • Retardillin
  • Depocillin
  • Duphapen
  • Procaine benzylpenicillin
  • Procaine benzylpenicillin salt
  • Benzylpenicillin procaine salt
  • Benzylpenicillin procaine
  • Afsillin
  • Ampin-penicillin
  • Aquacillin
  • Aquasuspen
  • Aquacilina
  • Abbocillin DC
  • Cilicaine
  • Crysticillin
  • Despacilina
  • Distaquaine
  • Duracillin
  • Flo-cillin aqueous
  • Kabipenin
  • Ledercillin
  • Millicillin
  • Mylipen
  • Neoproc
  • Novocaine penicillin
  • Penaquacaine G
  • Pen-fifty
  • Premocillin
  • Dorsallin AR
  • Procanodia
  • Pro-pen
  • Prostabillin
  • Sharcillin
  • Wycillin
  • Ilcocillin P
  • Lenticillin
  • Mammacillin
  • Megapen
  • Pen 50
  • Pentaquacaine G
  • Avloprocil
  • Carepen
  • Penovet
  • Ethacilin
  • Geepenil
  • Masticillin

Work with Penicillin G procaine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzylpenicillin procaine monohydrate6130-64-9Hydrate Penicillin G61-33-6Free acid Procaine59-46-1Free base Benzathine penicillin1538-09-6Salt Procaine hydrochloride51-05-8Salt Penicillin G potassium113-98-4Salt Penicillin G sodium69-57-8Salt

Similar compounds

Ampicillin69-53-448 % similar Carbenicillin4697-36-347 % similar Ampicillin trihydrate7177-48-246 % similar Piperacillin61477-96-145 % similar Azlocillin37091-66-044 % similar Amoxicillin26787-78-042 % similar Aspoxicillin63358-49-642 % similar Amoxicillin trihydrate61336-70-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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