(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate（CAS号：13553-79-2）

利福霉素-S

基本信息

$(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl acetate$

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CAS号

13553-79-2

分子式

C37H45NO12

分子量

695.76 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酮类

基础化工原料有机化学品酯类

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

179-181 ºC (dec.)

沸点

700.89°C (rough estimate)

闪点

508.6 °C

折射率

1.6630 (estimate)

比旋光度

+476° (c=0.1, MeOH)

SMILES

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CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c4C(=O)C=C(NC(=O)/C(=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)/C)C(=O)c4c(O)c3C

InChI

InChI=1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

InChIKey

BTVYFIMKUHNOBZ-ODRIEIDWSA-N

LogP

3.630320000000002

拓扑极性表面积

194.98999999999998 Å²

氢键供体/受体

4 / 13

复杂度

1480

安全信息

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GHS危险象形图

H371

危险说明

H371 可能对器官造成损害
特定目标器官毒性-单次接触

毒性

LD50 in mice (mg/kg): 122 i.v.; 258 i.p.; 3000 orally (Sensi, 1964)

同义词与引用数据

英文

Rifamycin S
1,4-Dideoxy-1,4-dihydro-1,4-dioxo-rifamycin
Rifampicin S
rifomycin S
(12S,3E,5S,13E,15Z)-7t-acetoxy-15,9c,11t-trihydroxy-5r-methoxy-12,4,6t,8c,10c,12t,16-heptamethyl-2-oxa-18-aza-1(2,7)-naphtho[2,1-b]furana-cyclooctadecaphane-3,13,15-triene-11,6,9,17-tetraone
1,4-Dideoxy-1,4-dihydro-1,4-dioxorifamycin
EINECS 236-938-4
NCI 144-130
O1,O4-didehydro-rifamycin
Rifamycin,1,4-dideoxy-1,4-dihydro-1,4-dioxo
rifamycin-S
rifaximin S
rifomycin-S
UNII-PI53N820JV
Rifaximin EP Impurity E
Rifaximin impurity E (EP)
4-dideoxy-1,4-dihydro-1,4-dioxo-rifamycin
Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-
5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-21-aceta
rifomycins
nci144-130
RIFAMYCIN S
RIFAMPICIN S
1,4-dideoxy-1,4-dihydro-1,4-dioxo-rifamycin