934016-19-0 (Degarelix Acetate,Degarelix Acetate)

CAS号:
934016-19-0
中文名称:
Degarelix Acetate
英文名称:
Degarelix Acetate
分子式:
C84H107ClN18O18
分子量:
1692.31119847298

Degarelix Acetate(934016-19-0)名称与标识符

名称

中文别名:
地加瑞克杂质;地加瑞克乙酸盐;
英文别名:
D-Alaninamide, N-acetyl-3-(naphtalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-, acetate (1:1);Fe 200486;AUTFSFUMNFDPLH-KYMMNHPFSA-N;Reaxys ID: 26024935;Degarelix Acetate-d7;DEGARELIX (ACETATE);Degarelix acetate;Gonax;DEGARELIX MONOACETATE ANHYDROUS;AKOS040732946;N-Acetyl-3-(naphthalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-ureido-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide acetate;Degarelix (acetate) pound>>FE 200486;I18S89P20R;UNII-EXT215F4ZU;EXT215F4ZU;FE-200486;N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-[[[(4S)-hexahydro-2,6-dioxo-4-pyrimidinyl]carbonyl]amino]-L-phenylalanyl-4-[(aminocarbonyl)amino]-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide,monoacetate;DTXSID201027699;Degarelix monoacetate;Degarelix acetate(214766-78-6 free base);214766-78-6 , Degarelix;T10988L;TS-07769;MFCD16879085;934016-19-0;DEGARELIX ACETATE (MART.);ASP-3550;CHEMBL2028987;D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-((((4S)-hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)amino)-L-phenylalanyl-4-((aminocarbonyl)amino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl, Acetate, Hydrate;Q27277419;Degarelix acetate hydrate;DEGARELIX ACETATE ANHYDROUS;FE200486 (free base);Degarelix (as acetate);ASP3550;Firmagon;934246-14-7;FE200486 Acetate Hydrate;N-ACETYL-3-(NAPHTHALEN-2-YL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-3-(PYRIDIN-3-YL)-D-ALANYL-L-SERYL-4-((((4S)-2,6-DIOXOHEXAHYDROPYRIMIDIN-4-YL)CARBONYL)AMINO)-L-PHENYLALANYL-4-(CARBAMOYLAMINO)-D-PHENYLALANYL-L-LEUCYL-N6-(1-METHYLETHYL)-L-LYSYL-L-PROLYL-D-ALANINAMIDE ACETATE HYDRATE;

标识符

InChIKey:
AUTFSFUMNFDPLH-KYMMNHPFSA-N
Inchi:
1S/C82H103ClN18O16.C2H4O2/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52;1-2(3)4/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117);1H3,(H,3,4)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+;/m1./s1
SMILES:
C(=O)(O)C.C(N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C)CC1C=CC2C=CC=CC=2C=1)CC1C=CC(Cl)=CC=1)CC1C=NC=CC=1)CC1C=CC(NC([C@H]2NC(=O)NC(=O)C2)=O)=CC=1)CC1C=CC(NC(=O)N)=CC=1

Degarelix Acetate(934016-19-0)物化性质

计算特性

  • 精确分子量 : 1690.7699263g/mol
  • 氢键供体数量 : 18
  • 氢键受体数量 : 36
  • 可旋转化学键数量 : 53
  • 同位素质量 : 1690.7699263g/mol
  • 重原子数量 : 121
  • 复杂度 : 3420
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 11
  • 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 : 2
  • 拓扑分子极性表面积 : 550Ų

Degarelix Acetate(934016-19-0)推荐厂家 更多厂家(7)

公司名称手机号/电话联系人QQ微信询单
杭州肽佳生物科技有限公司 13336049365
0571-87213919
来经理 3007955256
询单
深圳菲斯生物科技有限公司 18925202235周美娇 2850179284
询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
上海甄准生物科技有限公司 13816009161
021-68920155
姜经理13816009161 3001086693
询单
爱必信(上海)生物科技有限公司 18438616290
021-38015121
爱必信
询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单
上海颖心实验室设备有限公司 15221998634
021-59178156
徐女士 3822547328
询单