Penethamate

• CAS: 3689-73-4
• Catalog Number: ACM3689734
• Category: Main Products
• Molecular Weight: 433.57
• Molecular Formula: C₂₂H₃₁N₃O₄S
• Synonyms: Penethamate;penethamate hydroiodide;Penethacillin;PENICILLINGDIETHYLAMINOETHYLESTER;(2S,5β)-3,3-Dimethyl-7-oxo-6α-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid 2-(diethylamino)ethyl ester;(6α-[(Phenylacetyl)amino]penicillanic acid 2-(diethylamino)ethyl) ester
• IUPAC Name: 2-(diethylamino)ethyl(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• Canonical SMILES: CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C
• InChI Key: AFKRZUUZFWTBCC-WSTZPKSXSA-N
• Boiling Point: 644.1ºC at 760mmHg
• Flash Point: 343.3ºC
• Density: 1.24g/cm³
• Exact Mass: 433.20400

Custom Q&A

What is the molecular formula of Penethamate?

The molecular formula of Penethamate is C22H31N3O4S.

What are the synonyms of Penethamate?

The synonyms of Penethamate are Ephicillin and Penicillin G, 2-(diethylamino)ethyl ester.

What is the molecular weight of Penethamate?

The molecular weight of Penethamate is 433.6 g/mol.

What is the IUPAC name of Penethamate?

The IUPAC name of Penethamate is 2-(diethylamino)ethyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate.

What is the InChI of Penethamate?

The InChI of Penethamate is InChI=1S/C22H31N3O4S/c1-5-24(6-2)12-13-29-21(28)18-22(3,4)30-20-17(19(27)25(18)20)23-16(26)14-15-10-8-7-9-11-15/h7-11,17-18,20H,5-6,12-14H2,1-4H3,(H,23,26)/t17-,18+,20-/m1/s1.

What is the InChIKey of Penethamate?

The InChIKey of Penethamate is AFKRZUUZFWTBCC-WSTZPKSXSA-N.

What is the Canonical SMILES of Penethamate?

The Canonical SMILES of Penethamate is CCN(CC)CCOC(=O)C1C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C.

What is the CAS number of Penethamate?

The CAS number of Penethamate is 3689-73-4.

What is the XLogP3 value of Penethamate?

The XLogP3 value of Penethamate is 2.9.

What is the topological polar surface area of Penethamate?

The topological polar surface area of Penethamate is 104Ų.