Prolinomethyltetracycline
[CAS# 37106-99-3]

Identification

• Name: Prolinomethyltetracycline
• Synonyms: (2S)-1-[[[(E)-[(4R,4Ar,5Ar,6S,12Ar)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-6-Methyl-1,3,12-Trioxo-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxy-Methyl]Amino]Methyl]Pyrrolidine-2-Carboxylic Acid; (2S)-1-[[[(E)-[(4R,4Ar,5Ar,6S,12Ar)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-6-Methyl-1,3,12-Trioxo-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxymethyl]Amino]Methyl]-2-Pyrrolidinecarboxylic Acid; (2S)-1-[[[(E)-[(4R,4Ar,5Ar,6S,12Ar)-4-Dimethylamino-6,10,11,12A-Tetrahydroxy-1,3,12-Triketo-6-Methyl-4,4A,5,5A-Tetrahydrotetracen-2-Ylidene]-Hydroxy-Methyl]Amino]Methyl]Proline
• Molecular Formula: C₂₈H₃₃N₃O₁₀
• Molecular Weight: 571.58
• CAS Registry Number: 37106-99-3
• SMILES: [C@H]23C[C@H]1[C@](O)(C5=C(C(=C1C(=O)[C@@]2(O)C(=O)\C(C(=O)[C@@H]3N(C)C)=C(\O)NCN4[C@@H](CCC4)C(O)=O)O)C(=CC=C5)O)C
• InChI: 1S/C28H33N3O10/c1-27(40)12-6-4-8-16(32)17(12)21(33)18-13(27)10-14-20(30(2)3)22(34)19(24(36)28(14,41)23(18)35)25(37)29-11-31-9-5-7-15(31)26(38)39/h4,6,8,13-15,20,29,32-33,37,40-41H,5,7,9-11H2,1-3H3,(H,38,39)/b25-19+/t13-,14-,15+,20-,27-,28-/m1/s1
• InChIKey: SDVPUCSIJKFEHB-JHVVBUMPSA-N

Properties

• Density: 1.62g/cm³ (Cal.)
• Boiling point: 814.413°C at 760 mmHg (Cal.)
• Flash point: 446.341°C (Cal.)