
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 49830-49-1 |
| Catalog No. | 2A-1200573 |
| Chinese Name | Bleomycinamide,N1-[3-(dimethylsulfonio)propyl]-, chloride (9CI) |
| Synonyms | BLM A2,HCL; n(sup1)-(3-(dimethylsulfonio)propyl)-bleomycinamidchloride; Bleomycin A2-HCl |
| Molecular Formula | C55H84ClN17O21S3 |
| Molecular Weight | 1451.00000 |
| Purity | 98% |
| PubChem ID | 135269277 |
| SMILES | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)C(C)O)C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)c1cnc[nH]1.[Cl-] |
| InChI | InChI=1S/C55H83N17O21S3.ClH/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);1H/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1 |
| InChI Key | BODDZCXQPQPRES-FOBMNYSPSA-N |
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