Benzylpenicillinclemizole
[CAS# 6011-39-8]

Identification

• Name: Benzylpenicillinclemizole
• Synonyms: 1-[(4-Chlorophenyl)Methyl]-2-(1-Pyrrolidinylmethyl)Benzimidazole; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-[(1-Oxo-2-Phenylethyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 1-(4-Chlorobenzyl)-2-(Pyrrolidin-1-Ylmethyl)Benzimidazole; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid; 1-[(4-Chlorophenyl)Methyl]-2-(Pyrrolidin-1-Ylmethyl)Benzimidazole; (2S,5R,6R)-3,3-Dimethyl-7-Oxo-6-(2-Phenylethanoylamino)-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₃₅H₃₈ClN₅O₄S
• Molecular Weight: 660.23
• CAS Registry Number: 6011-39-8
• SMILES: [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C(=O)O)(C)C.C4=CC=CC5=C4[N](C(=N5)CN6CCCC6)CC7=CC=C(Cl)C=C7
• InChI: 1S/C19H20ClN3.C16H18N2O4S/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22;1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h1-2,5-10H,3-4,11-14H2;3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t;11-,12+,14-/m.1/s1
• InChIKey: GKPMEGXMKPQRTN-CBDIPHIASA-N

Properties

• Boiling point: 506.1°C at 760 mmHg (Cal.)
• Flash point: 259.9°C (Cal.)