basic_info |
|
| Product_Name： | 硫酸博来霉素 |
| CAS： | 9041-93-4 ;11056-06-7 |
| 中文同义词： | 硫酸博来霉素 |
| EnglishSynonyms： | BLEXANE ; BLEOMYCIN SULFATE/BLENOXANE ; BLEOCIN ; BLEO ; BLEOMYCIN SULPHATE ; BLENOXANE SULFATE ; BLEOMYCIN SULFATE ; BLENOXANE ; BLEOMYCIN A2 ; 3-[[2-[2-[2-[2-[4-[2-[6-AMINO-2-[1-(2-AMINO-2-CARBAMOYL-ETHYL)AMINO-2-CARBAMOYL-ETHYL]-5-METHYL-PYRIMIDIN-4-YL]CARBONYLAMINO-3-[3-[4-CARBAMOYLOXY-3,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL]OXY-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDROPYRAN-2-YL]OXY-3-(3H-IMIDAZOL-4-YL)PROPANOYL]AMINO-3-HYDROXY-2-METHYL-PENTANOYL]AMINO-3-HYDROXY-BUTANOYL]AMINOETHYL]-1,3-THIAZOL-4-YL]-1,3-THIAZOL-4-YL]CARBONYLAMINO]PROPYL-DIMETHYL-SULFONIUM SULFATE SALT (BLEOMYCIN A2) ; BLEOMYCIN SULFATE FROM STREPTOMYCES VERTICILLUS |
| pro_mdlNumber： | MFCD00070310 |
| pro_acceptors： | 38 |
| pro_donors： | 20 |
| pro_smile： | Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6ncc(s6)C(=O)NCCC[S+](C)C)O.Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6ncc(s6)C(=O)NCCC[S+](C)C)O.[O-]S(=O)(=O)[O-] |
| InChi： | InChI=1S/2C55H83N17O21S3.H2O4S/c2*1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-66-26)91-54-43(39(80)37(78)28(16-73)90-54)92-53-40(81)42(93-55(60)88)38(79)29(17-74)89-53)51(87)67-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-68-27(18-94-32)52-65-15-30(95-52)48(84)62-9-7-11-96(5)6;1-5(2,3)4/h2*14-15,18-19,21-25,28-29,34-43,53-54,64,73-75,77-81H,7-13,16-17,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,66,67,69,70,71,72,76,82,83,84,85,86,87,88);(H2,1,2,3,4)/t2*21-,22+,23+,24-,25-,28-,29+,34+,35+,36-,37+,38+,39-,40-,41-,42+,43-,53-,54-;/m00./s1 |
| InChiKey： | InChIKey=OOXTWFJZZAJGKA-CNLAFNBISA-N |
property |
|
| Information： | FROM STREPTOMYCES VERTICILLUS |
secure_info |
|
| secure_symbol： |
GHS08
|
| secure_signal_word： | Danger |
| secure_risk_stmt： | H340-H351-H361 |
| secure_cautionary_stmt： | P201-P281-P308 + P313 |
| secure_damage_code： | T |
| secure_risk_disclosure_stmt： | R:46-63-40 |
| secure_security_stmt： | S:36/37-45 |
| secure_wgk_germany： | 3 |
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