CAS: 130143-01-0; (S)-N-((R)-1-Amino-1-Oxopropan-2-yl)-1-((2S,5S,8R,11S,14S,17R,20R,23R)-20-(4-Chlorobenzyl)-2-(3-((Diaminomethylene)Amino)Propyl)-11-(4-Hydroxybenzyl)-14-(Hydroxymethyl)-5-Isobutyl-23-(Naphthalen-2-Ylmethyl)-4,7,10,13,16,19,22,25-Octaoxo-17-(Pyridin-3-Ylmethyl)-8-(3-Ureidopropyl)-3,6,9,12,15,18,21,24-Octaazahexacosanoyl)Pyrrolidine-2-Carboxamide Diacetate

• 英文名称(S)-N-((R)-1-Amino-1-Oxopropan-2-yl)-1-((2S,5S,8R,11S,14S,17R,20R,23R)-20-(4-Chlorobenzyl)-2-(3-((Diaminomethylene)Amino)Propyl)-11-(4-Hydroxybenzyl)-14-(Hydroxymethyl)-5-Isobutyl-23-(Naphthalen-2-Ylmethyl)-4,7,10,13,16,19,22,25-Octaoxo-17-(Pyridin-3-Ylmethyl)-8-(3-Ureidopropyl)-3,6,9,12,15,18,21,24-Octaazahexacosanoyl)Pyrrolidine-2-Carboxamide Diacetate
• 中文名称醋酸西曲瑞克
• IUPAC名称(S)-N-((R)-1-amino-1-oxopropan-2-yl)-1-((2S,5S,8R,11S,14S,17R,20R,23R)-20-(4-chlorobenzyl)-2-(3-((diaminomethylene)amino)propyl)-11-(4-hydroxybenzyl)-14-(hydroxymethyl)-5-isobutyl-23-(naphthalen-2-ylmethyl)-4,7,10,13,16,19,22,25-octaoxo-17-(pyridin-3-ylmethyl)-8-(3-ureidopropyl)-3,6,9,12,15,18,21,24-octaazahexacosanoyl)pyrrolidine-2-carboxamide diacetate
• 其它别名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 Diacetate; Cetrorelix Acetateq: What Is Cetrorelix Acetate Q: What Is The Cas Number Of Cetrorelix Acetate; Ns-75A Diacetate; (S)-N-((R)-1-Amino-1-Oxopropan-2-Yl)-1-((2S,5S,8R,11S,14S,17R,20R,23R)-20-(4-Chlorobenzyl)-2-(3-Guanidinopropyl)-11-(4-Hydroxybenzyl)-14-(Hydroxymethyl)-5-Isobutyl-23-(Naphthalen-2-Ylmethyl)-4,7,10,13,16,19,22,25-Octaoxo-17-(Pyridin-3-Ylmethyl)-8-(3-Ureidopropyl)-3,6,9,12,15,18,21,24-Octaazahexacosan-1-Oyl)Pyrrolidine-2-Carboxamide Diacetate
• CAS编号130143-01-0
• MFCD编号:MFCD00884467
• EINECS号:685-076-9
• FDA UNII编号:W9Y8L7GP4C
• 分子式:C74H100ClN17O18
• 分子量:1551.17
• 产品CID: 459792
• 同类组份化合物CAS120287-85-6 (free base)130143-01-0 (2 acetate)130289-71-3 (3TFA)145672-81-7 (1 acetate); 165186-69-6 (pamoate)

• 相似结构搜索
• InChIKey: DTPVYWHLQLAXFT-SMCUOGPFSA-N
• InChI=1S/C70H92ClN17O14.2C2H4O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(1…
• 计算化学: 氢键受体数20.0氢键供体数18.0可旋转键数38.0

物理性质

• 沸点1768.4 °C at 760 mmHg
• 闪点1023.3 °C
• 密度1.4±0.1 g/cm3
• PSA:518.21
• LogP:2.69
• 折射率1.668
• 蒸汽压0mmHg at 25°C
• 溶解性DMSO:50.0(Max Conc. mg/mL);33.53(Max Conc. Mm) Water:2.0(Max Conc. mg/mL);1.34(Max Conc. Mm)
• 外观形态固体-粉末
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用该化合物用作辅助生殖技术,以防止受控制卵巢刺激的病人过早排卵.它与垂死地的GNHR受体有竞争关系,从而以剂量为依存,阻止润滑激素和泡泡激素的分泌.在妇女中,它延缓LH的激增,从而延缓排卵,其效果在治疗停止后是可以逆转的.它在卵巢激素刺激期间,每天通过亚乳剂注射,从5天或6天开始(摩洛疗程)或5天(晚疗程) 刺激开始,持续到排卵诱导日(月球)或晚前(晚)为止.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07;
  注释: Health hazard & Exclamation mark
• 危险类别生殖毒性 类别1B
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H360 |可能损害生育能力或胎儿.
  H319 |造成严重眼刺激.
• 防范说明P261-P280-P301+P312-P302+P352-P305+P351+P338

欧盟法规

合成工艺路线路线简述

海关参考信息

• 2902600000-乙苯
  2902902000-精萘
  2903919090-氯苯
  2905121000-正丙醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管