(1R,4aS,12aS)-3-[Amino(Hydroxy)Methylene]-10-Chloro-4A,6,7-Trihydroxy-N,N,11-Trimethyl-2,4,5-Trioxo-1,2,3,4,4A,5,12,12A-Octahydro-1-Tetracenaminium
[CAS# 158018-53-2]

Identification

• Classification: API >> Antibiotics >> Tetracycline
• Name: (1R,4aS,12aS)-3-[Amino(Hydroxy)Methylene]-10-Chloro-4A,6,7-Trihydroxy-N,N,11-Trimethyl-2,4,5-Trioxo-1,2,3,4,4A,5,12,12A-Octahydro-1-Tetracenaminium
• Synonyms: ZINC02516814
• Molecular Formula: C₂₂H₂₂ClN₂O₇
• Molecular Weight: 461.87
• CAS Registry Number: 158018-53-2
• SMILES: O=C3C(=C(O)N)C(=O)[C@@]4(O)C(=O)c2c(c(c1c(Cl)ccc(O)c1c2O)C)C[C@H]4[C@H]3[NH+](C)C
• InChI: 1S/C22H21ClN2O7/c1-7-8-6-9-16(25(2)3)18(28)15(21(24)31)20(30)22(9,32)19(29)13(8)17(27)14-11(26)5-4-10(23)12(7)14/h4-5,9,16,26-27,31-32H,6,24H2,1-3H3/p+1/t9-,16+,22-/m0/s1
• InChIKey: IUCFHMRPRYZRSO-VIBFLENHSA-O

Properties

• Boiling point: 622.983°C at 760 mmHg (Cal.)
• Flash point: 330.568°C (Cal.)
• Refractive index: (Cal.)