N-[(3S,4S,4aS,5S,6S)-3-(Dichloromethyl)-1,5,6-Trihydroxy-3-Methyl-8-Oxo-4a,5,6,7-Tetrahydro-4H-Isochromen-4-Yl]-2-Aminopropanamide Hydrochloride
[CAS# 73543-68-7]

Identification

• Name: N-[(3S,4S,4aS,5S,6S)-3-(Dichloromethyl)-1,5,6-Trihydroxy-3-Methyl-8-Oxo-4a,5,6,7-Tetrahydro-4H-Isochromen-4-Yl]-2-Aminopropanamide Hydrochloride
• Synonyms: N-[(3S,4S,4As,5S,6S)-3-(Dichloromethyl)-1,5,6-Trihydroxy-3-Methyl-8-Oxo-4A,5,6,7-Tetrahydro-4H-Isochromen-4-Yl]-2-Amino-Propanamide Hydrochloride; N-[(3S,4S,4As,5S,6S)-3-(Dichloromethyl)-1,5,6-Trihydroxy-8-Keto-3-Methyl-4A,5,6,7-Tetrahydro-4H-Isochromen-4-Yl]-2-Amino-Propionamide Hydrochloride; Antibiotic Bn 183B Hydrochloride
• Molecular Formula: C₁₄H₂₁Cl₃N₂O₆
• Molecular Weight: 419.69
• CAS Registry Number: 73543-68-7
• SMILES: [C@@H]12[C@H](NC(=O)C(N)C)[C@](OC(=C1C(=O)C[C@H](O)[C@H]2O)O)(C(Cl)Cl)C.[H+].[Cl-]
• InChI: 1S/C14H20Cl2N2O6.ClH/c1-4(17)11(22)18-10-8-7(5(19)3-6(20)9(8)21)12(23)24-14(10,2)13(15)16;/h4,6,8-10,13,20-21,23H,3,17H2,1-2H3,(H,18,22);1H/t4?,6-,8+,9+,10-,14-;/m0./s1
• InChIKey: UQGDUGUHPOPYMT-ULHAZQLPSA-N

Properties

• Boiling point: 642.9°C at 760 mmHg (Cal.)
• Flash point: 342.6°C (Cal.)