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醋酸西曲瑞克 | 130143-01-0

醋酸西曲瑞克
Cetrorelix acetate
130143-01-0
C70H92ClN17O14.2(C2H4O2)
1551.16
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:醋酸西曲瑞克结构式
87949193
醋酸西曲瑞克价格
简介
Cetrorelix diacetate (SB-075 diacetate)是 GnRH 受体的强效拮抗剂,其 IC50 值为 1.21 nM。
名称和标识符
InChIKey ZVUQQGOVAMGOTD-QCYBIGPASA-N
Inchi InChI=1S/C62H73ClN12O13/c1-36(74(61(86)53-14-10-28-73(53)54(79)15-7-8-27-69-62(66)67)59(84)50(70-37(2)76)33-42-16-21-44-12-5-6-13-45(44)29-42)57(82)75(58(83)49(65)30-40-17-22-46(63)23-18-40)60(85)51(32-41-19-24-47(25-20-41)88-39(4)78)71-56(81)52(35-87-38(3)77)72-55(80)48(64)31-43-11-9-26-68-34-43/h5-6,9,11-13,16-26,29,34,36,48-53H,7-8,10,14-15,27-28,30-33,35,64-65H2,1-4H3,(H,70,76)(H,71,81)(H,72,80)(H4,66,67,69)/t36-,48-,49-,50-,51+,52+,53+/m1/s1
SMILES NC(NCCCCC(N1[C@H](C(N([C@H](C)C(N(C([C@H](N)CC2=CC=C(Cl)C=C2)=O)C([C@H](CC2=CC=C(OC(C)=O)C=C2)NC([C@H](COC(C)=O)NC([C@H](N)CC2=CN=CC=C2)=O)=O)=O)=O)C([C@H](NC(C)=O)CC2=CC3=CC=CC=C3C=C2)=O)=O)CCC1)=O)=N
别名信息
- 中文别名 -
  • 醋酸西曲瑞克
  • 醋酸西曲瑞克,多肽
  • 西曲瑞克
- 英文别名 -
  • Cetrorelix acetate
  • N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide diacetate
  • CETRORENLIN ACETATE
  • Cetrelix Acetate
  • Cetrorelix acetate (MART.)
  • Cetrorelix acetate [WHO-DD]
  • Cetrorelix acetate [JAN]
  • EX-A3856
  • N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 5)-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide acetate (salt)
  • N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N5-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alanin-amide acetate
  • UNII-W9Y8L7GP4C
  • D 20761
  • Cetrorelix acetate [USAN]
  • Cetrorelix acetate [USAN:JAN:WHO-DD]
  • SB 075 acetate
  • BS-15110
  • Cetrorelix (diacetate)
  • Cetrotide
  • Cetrorelix acetate [MI]
  • SB-075 diacetate
  • HY-P0009B
  • AKOS037748846
  • D81833
  • Cetrorelix acetate [MART.]
  • SB-075 ACETATE
  • NS-75A diacetate
  • Q27895653
  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 5)-(aminocarbonyl)-D-ornithyl-L-leucyl-L-argyinyl-L-prolyl-, acetate (salt)
  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-, acetate (salt)
  • Cetrotide acetate
  • 130143-01-0
  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-, diacetate (salt)
  • SCHEMBL6149471
  • Cetrorelixdiacetate
  • CS-0134655
  • Cetrorelix acetate [VANDF]
  • Cetrorelix diacetate
  • NS 75a
  • Cetrorelix diacetateNS-75A
  • W9Y8L7GP4C
  • N-acetyl-3-(naphthalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-L-tyrosyl-N(5)-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide acetate
  • SB-75 diacetate
  • Cetrorenlin Acetate
物化性质
实验特性
LogP 6.72280
PSA 518.21000
沸点 1768.4°C at 760 mmHg
闪点 1023.3°C
计算特性
精确分子量 1513.69000
氢键供体数量 18
氢键受体数量 20
可旋转化学键数量 38
同位素质量 1549.7120771g/mol
重原子数量 110
复杂度 2870
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 3
拓扑分子极性表面积 573Ų
专业数据库参考
PubChemId 87949193
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