Chemical Formula: | C32H43ClN2O9 |
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Molecular Weight: | 635.14 |
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Synonyms: | Ansamitocin P-3; 2'-De(acetylmethylamino)-2'-methylmaytansine; 2'-De[acetyl(methyl)amino]-2'-methylmaytansine; NSC292222; Tam 330; Tam-330 |
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MDL No.: | MFCD00274586 |
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EINECS / EC No.: | N/A |
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Pubchem CID: | 5282049 |
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IUPAC Name: | [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-methylpropanoate |
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Standard InchI: | InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,31+,32+/m1/s1 |
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InchI Key: | OPQNCARIZFLNLF-JBHFWYGFSA-N |
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SMILES: | CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O |
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Appearance: | - |
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Melting Point: | 190-192 °C |
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Boiling Point: | 833.1 °C at 760 mmHg |
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Density (Theoretical): | 1.29 |
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Refractive Index: | 1.583 |
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