Blenoxane（CAS号：9041-93-4）

硫酸博莱霉素

基本信息

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CAS号

9041-93-4

分子式

C55H84N17O21S3+

分子量

1415.55 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品醚类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

197 deg C (dec)

密度

1.1300

水溶性

Soluble in water or DMSO

溶解度

H2O: 20 mg/mL

SMILES

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CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C55H83N17O21S3.H2O4S/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;1-5(2,3)4/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);(H2,1,2,3,4)/t21?,22?,23?,24?,25?,29-,30+,34?,35?,36?,37+,38+,39-,40-,41?,42-,43-,53+,54-;/m0./s1

InChIKey

WUIABRMSWOKTOF-OCBSMOPSSA-N

LogP

-4.20880

复杂度

2660

安全信息

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GHS危险象形图

H351

危险说明

H351 怀疑致癌
致癌性

敏感性

thermally sensitive

同义词与引用数据

英文

Bleomycin sulfate
BLENOXANE
BLEO
BLEOMYCIN SULFATE, STREPTOMYCES VERTICILLUS
BLEXANE
Blenmycins
bleomycin,sulfate(salt)
NSC-125066
bleomycin sulfate from streptomyces verticillus
BLEOMYCIN SULFATE CELL CULTURE TESTED
BLEOMYCIN SULFATE, BPC
BLEOMYCIN SULFATE FROM STREPTOMYCES VERT ICILLUS, LYOPH.
Blocamicina
Bleomycin Sulfate, Blenoxane
Bleomycin Sulfate (A mixture of bleomycin sulfate salts)
Blenoxane, Bleo, Blexane
Bleomycin Sulfate (mixture)
Bleomycin (sulfate)
Bleomycin sulfate (Bleo, Blexane, Blenoxane®)
Bleomycin sulphate, Comet assay grade
1.5-2.0 units
BLEMOYCIN SULFATE
BleoMycin Sufate
BLEOMYCIN SULPHATE
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]ox
3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3R,4R)-4-[[(2R,3S)-2-[[6-Amino-2-[(1S)-3-amino-1-[[(2R)-2,3-diamino-3-
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 hydrogen sulfate
SR-01000941586
Blexane
Bleomycin sulfate (salt)
Bleomycin sulfate [Bleomycins]