Benzylpenicilline Benzathine
[CAS# 41372-02-5]

Identification

• Classification: Analytical chemistry >> Standard >> Pharmacopoeia standards and magazine standards
• Name: Benzylpenicilline Benzathine
• Synonyms: N,N'-Dibenzylethane-1,2-Diamine; (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; (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; Tetrahydrate; Benzyl-[2-(Benzylamino)Ethyl]Amine; (2S,5R,6R)-7-Keto-3,3-Dimethyl-6-[(2-Phenylacetyl)Amino]-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylic Acid
• Molecular Formula: C₄₈H₆₄N₆O₁₂S₂
• Molecular Weight: 981.19
• CAS Registry Number: 41372-02-5
• SMILES: N(CCNCC1=CC=CC=C1)CC2=CC=CC=C2.[C@H]34SC(C)(C)[C@@H](N3C(=O)[C@H]4NC(=O)CC5=CC=CC=C5)C(O)=O.[C@H]67SC(C)(C)[C@@H](N6C(=O)[C@H]7NC(=O)CC8=CC=CC=C8)C(O)=O.O.O.O.O
• InChI: 1S/2C16H18N2O4S.C16H20N2.4H2O/c2*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;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;;;;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;4*1H2/t2*11-,12+,14-;;;;;/m11...../s1
• InChIKey: WIDKTXGNSOORHA-CJHXQPGBSA-N

Properties

• Boiling point: 1299.8°C at 760 mmHg (Cal.)
• Flash point: 739.9°C (Cal.)