BLEOMYCIN A2, HYDROCHLORIDE structure, CAS 49830-49-1

BLEOMYCIN A2, HYDROCHLORIDE

CAS Number49830-49-1

SynonymsBLM A2,HCL; n(sup1)-(3-(dimethylsulfonio)propyl)-bleomycinamidchloride; Bleomycin A2-HCl

Molecular FormulaC55H84ClN17O21S3

Molecular Weight1451.00000

Purity98%%

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Cat. No.: 2A-1200573 Purity: 98%%
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Quality Control of [ 49830-49-1 ] Purity: 98%% SDS Specification MoL

Chemical & Physical Properties
CAS Number49830-49-1
Catalog No.2A-1200573
Chinese NameBleomycinamide,N1-[3-(dimethylsulfonio)propyl]-, chloride (9CI)
SynonymsBLM A2,HCL; n(sup1)-(3-(dimethylsulfonio)propyl)-bleomycinamidchloride; Bleomycin A2-HCl
Molecular FormulaC55H84ClN17O21S3
Molecular Weight1451.00000
Purity98%
PubChem ID135269277
SMILESCc1c(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-]
InChIInChI=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 KeyBODDZCXQPQPRES-FOBMNYSPSA-N
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