86029-43-8 ((Vecuronium bromide)

CAS号:
86029-43-8
英文名称:
Vecuronium bromide
分子式:
C34H57BrN2O4
分子量:
637.731389760971

Vecuronium bromide(86029-43-8)名称与标识符

名称

英文别名:
Androstane, piperidinium deriv.;Vecuronium;VECURONIUM BROMIDE;Norcuron;ORG NC 45;Vecuronii bromidum;Bromuro de vecuronio;Vecuronium (bromide);Bromure de vecuronium;Vecuronii bromidum [INN-Latin];Bromure de vecuronium [INN-French];Bromuro de vecuronio [INN-Spanish];7E4PHP5N1D;acetate;bromide;DSSTox_CID_3736;[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;DTXSID1044146;AB00698366_08;VECURONIUM [WHO-DD];1-(3.ALPHA.,17.BETA.-DIHYDROXY-2.BETA.-PIPERIDINO-5.ALPHA.-ANDROSTAN-16.BETA.,5.ALPHA.-YL)-1-METHYLPIPERIDINIUM, DIACETATE;1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-DIACETOXY-10,13-DIMETHYL-2-PIPERIDIN-1-YLHEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-16-YL)-1-METHYLPIPERIDINIUM;AKOS025290368;Epitope ID:116647;C07553;UNII-5438723848;BRD-K20168442-004-06-3;Vecuronio;AB00698366-05;GTPL4002;ANDROSTANE-3,17-DIOL, 16-(1-METHYL-1-PIPERIDINIUMYL)-2-(1-PIPERIDINYL)-, DIACETATE (ESTER), (2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-;Vecuronium ion;PIPERIDINIUM, 1-((2.BETA.,3.ALPHA.,5.ALPHA.,16.BETA.,17.BETA.)-3,17-BIS(ACETYLOXY)-2-(1-PIPERIDINYL)ANDROSTAN-16-YL)-1-METHYL-;SCHEMBL13575838;AB00698366-07;Piperidinium, 1-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl]-1-methyl-;Q421224;(2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane;CHEMBL1201219;Vecuronium cation;ANDROSTANE-3,17-DIOL, 16-(1-METHYL-1-PIPERIDINIUMYL)-2-(1-PIPERIDINYL)-, DIACETATE (ESTER), (2beta,3alpha,5alpha,16beta,17beta)-;DTXCID9024146;HMS2090D22;DB01339;86029-43-8;NCGC00167467-01;BDBM50424713;VECURONIUM [VANDF];Piperidinium, 1-((2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl)-1-methyl-;Bromide, Vecuronium;CHEBI:9939;1-(3alpha,17beta-DIHYDROXY-2beta-PIPERIDINO-5alpha-ANDROSTAN-16beta,5alpha-YL)-1-METHYLPIPERIDINIUM, DIACETATE;Musculax;ORG NC 45 / ORG-NC 45;1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-methylpiperidin-1-ium;NS00008707;

标识符

InChIKey:
VEPSYABRBFXYIB-PWXDFCLTSA-M
Inchi:
1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1
SMILES:
[Br-].O(C(C)=O)[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([C@H](C[C@]4(C)[C@H]3CC[C@@]21C)N1CCCCC1)OC(C)=O)[N+]1(C)CCCCC1

Vecuronium bromide(86029-43-8)物化性质

实验特性

  • LogP : 5.86260
  • PSA : 55.84000
  • 沸点 : °Cat760mmHg
  • 闪点 : °C

计算特性

  • 精确分子量 : 557.431833
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 6
  • 同位素质量 : 557.431833
  • 重原子数量 : 41
  • 复杂度 : 958
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 10
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 6.5
  • 拓扑分子极性表面积 : 55.8

Vecuronium bromide(86029-43-8)国际标准相关数据

EINECS:
256-723-9

Vecuronium bromide(86029-43-8)推荐厂家 更多厂家(2)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单

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