二苯甲酰硫胺素

CAS号
299-88-7
CCD编号
CCD00176280
分子式
C26 H26 N4 O4 S
分子量
490.581

基本信息

产品名称: 二苯甲酰硫胺素
CAS: 299-88-7
中文同义词: 二苯甲酰硫胺素 ; 联苯甲酰硫胺
英文同义词: BENTIAMINE ; DIBENZOYL THIAMIN ; DIBENZOYL THIAMINE
MDL号: MFCD00867787
氢键受体数量: 8
氢键供体数量: 1
Smile: Cc1ncc(c(n1)N)CN(C=O)/C(=C(\CCOC(=O)c2ccccc2)/SC(=O)c3ccccc3)/C
InChi: InChI=1S/C26H26N4O4S/c1-18(30(17-31)16-22-15-28-19(2)29-24(22)27)23(35-26(33)21-11-7-4-8-12-21)13-14-34-25(32)20-9-5-3-6-10-20/h3-12,15,17H,13-14,16H2,1-2H3,(H2,27,28,29)/b23-18+
InChiKey: InChIKey=AZJUFRDUYTYIHV-PTGBLXJZSA-N

性质

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安全信息

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