(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-6,9,18,24-Tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,4E)-2-methyl-4-hexenoyl]-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotrit riacontane-2,5,8,11,14,17,20,23,26,29,32-undecone（CAS号：121584-18-7）

戊司泊达

基本信息

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CAS号

121584-18-7

分子式

C63H111N11O12

分子量

1214.65 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

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

沸点

1290.1±65.0°C at 760 mmHg

密度

1.015

闪点

734°C

折射率

1.466

比旋光度

D20 -255.1° (c = 0.5 in CHCl3)

SMILES

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CC=CCC(C)C(=O)C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C

InChI

InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1

InChIKey

YJDYDFNKCBANTM-QCWCSKBGSA-N

LogP

3.7232000000000065

拓扑极性表面积

275.64000000000004 Å²

氢键供体/受体

4 / 23

复杂度

2410

安全信息

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GHS危险象形图

H302

危险说明

H302 吞咽有害
急性毒性-经口

同义词与引用数据

英文

Amdray (TN)
VALSPODAR [WHO-DD]
DTXSID90873386
6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoic Acid]-7-L-valine-cyclosporin A
Cyclo(((2S,4R,6E)-4-methyl-2-(methylamino)-3-oxo-6-octenoyl)-L-valyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl)
SCHEMBL21751941
BDBM50390978
GTPL11745
J-525155
Cyclosporin A, 6-[(2S,4R,6E)-4-methyl-2-(methylamino)-3-oxo-6-octenoic acid]-7-L-valine-
UNII-Q7ZP55KF3X
DB11869
SR-01000872585-1
SDZ PSC833
6-[(2S,4R,6E)-4-Methyl-2-(methylamino)-3-oxo-6-octenoicacid]-7-L-valinecyclosporin A
Cyclosporin A, 6-((R-(E))-6,7-didehydro-N,4-dimethyl-3-oxo-L-2-aminooctanoic acid)-7-L-valine-
VALSPODAR [INN]
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-6,9,18,24-tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
PSC-833
Q7120613
VALSPODAR [VANDF]
CHEMBL1086218
Valspodar; (PSC-833
AS-35155
AKOS024457945
EX-A2242
Sdz-psc-833
3'-Keto-bmt(1)-val(2)-cyclosporin A
Valspodar(PSC833)
VALSPODAR [MI]
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,2R)-2-methylhex-4-enoyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21,30-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone