Synarel（CAS号：86220-42-0）

乙酸那法瑞林水合物

基本信息

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CAS号

86220-42-0

分子式

C68H89N17O16

分子量

1400.5 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

溶解度

H2O: >5mg/mL

SMILES

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CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8.CC(=O)O.O

InChI

InChI=1S/C66H83N17O13.C2H4O2.H2O/c1-36(2)25-48(58(89)76-47(13-7-23-71-66(68)69)65(96)83-24-8-14-54(83)64(95)73-33-55(67)86)77-60(91)50(28-38-15-18-39-9-3-4-10-40(39)26-38)78-59(90)49(27-37-16-19-43(85)20-17-37)79-63(94)53(34-84)82-61(92)51(29-41-31-72-45-12-6-5-11-44(41)45)80-62(93)52(30-42-32-70-35-74-42)81-57(88)46-21-22-56(87)75-46;1-2(3)4;/h3-6,9-12,15-20,26,31-32,35-36,46-54,72,84-85H,7-8,13-14,21-25,27-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,90)(H,79,94)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71);1H3,(H,3,4);1H2/t46-,47-,48-,49-,50+,51-,52-,53-,54-;;/m0../s1

InChIKey

FSBTYDWUUWLHBD-UDXTWCDOSA-N

LogP

-2.3567000000000142

拓扑极性表面积

543.4299999999998 Å²

氢键供体/受体

22 / 33

复杂度

2760

同义词与引用数据

英文

8ENZ0QJW4H
5-OXO-PRO-HIS-TRP-SER-TYR-3-(2-NAPHTHYL)-D-ALA-LEU-ARG-PRO-GLYCINAMIDE ACETATE
Nafarelin acetate salt hydrate, >=95% (HPLC), solid
NAFARELIN ACETATE HYDRATE [JAN]
NAFARELIN ACETATE [MART.]
Synarel
Nasanyl
SynarelRS-94991-298
NAFARELIN ACETATE HYDRATE [MI]
NAFARELIN ACETATE
Nafarelin acetate salt hydrate
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-3-(2-naphthyl)-D-alanyl-L-leucyl-L-arginyl-L-prolylglycinamide acetate salt hydrate
NAFARELIN ACETATE [ORANGE BOOK]
RS-94991
RS-94991-298
DTXSID40904715
NAFARELIN ACETATE [VANDF]
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-3-(2-naphthyl)-D-alanyl-L-leucyl-L-arginyl-L-prolylglycinamide acetate (salt) hydrate
UNII-8ENZ0QJW4H
5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-3-(2-naphthyl)-D-alanyl-L-leucyl-L-arginyl-L-prolylglycinamide acetate hydrate
Nafarelin acetate [USAN]
86220-42-0
Nafarelin acetate hydrate
MFCD00895733
Q27270261
Synral
(D-2-Nal6)-LHRH, Nafarelin
5-OXO-L-PROLYL-L-HISTIDYL-L-TRYPTOPHYL-L-SERYL-L-TYROSYL-3-(2-NAPHTHYL)-D-ALANYL-L-LEUCYL-L-ARGINYL-L-PROLYLGLYCINAMIDE ACETATE HYDRATE
Nafarelin
NAFARELIN ACETATE HYDRATE