Becatecarin
5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Also Known As: Becatecarin|Becatecarina|Becatecarine|DEAE-Rebeccamycin|becatecarinum|Becatecarin [USAN]|Rebeccamycin analog|Bms-181176|XL119 compound|Becatecarin < USAN|Prop INN >|DEAE-RBM|Becatecarin [USAN:INN]|Bms 181176|BECATECARIN [INN]|Becatecarin (USAN/INN)|Bmy 27557|XL119|XL-119|BECATECARIN [MART.]|diethylaminoethyl-rebeccamycin|BECATECARIN [WHO-DD]|rebeccamycin, diethylaminoethyl-|BMY-27557-14 (tartrate)|XL 119|Bmy 27557-1|NSC-D640199|Bmy 27557-14|Bms 181176-14
| Molecular Formula | C33H34Cl2N4O7 |
|---|---|
| Molecular Weight | 668.1805 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 140.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 668.1805 |
| Heavy Atoms | 46 |
| Complexity | 2035.3 |
Chemical Identifiers
| CAS Number | 119673-08-4 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)OC)O)O)C(=CC=C6)Cl |
Product Overview
Becatecarin (CAS 119673-08-4), with molecular formula C33H34Cl2N4O7 and molecular weight 668.1805 g/mol. IUPAC: 5,21-dichloro-13-[2-(diethylamino)ethyl]-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione.
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