CAS Number183552-38-7
SynonymsCarbamic acid,acetyldithio-,methyl ester; Abarelix; Carbamodithioic acid,acetyl-,methyl ester; Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nα-Me-Tyr]-D-Asn-Leu-ILys-Pro-DAla-NH2; acetyl-dithiocarbamic acid methyl ester; Abarelix Acetate; Acetyl-dithiocarbamidsaeure-methylester
Molecular FormulaC72H95O14N14Cl1
Molecular Weight1416.08
Purity98%
Density1.3±0.1 g/cm3
Boiling Point1688.4±65.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 183552-38-7 |
| Catalog No. | 2A-9009023 |
| Chinese Name | 阿巴瑞克 |
| Synonyms | Carbamic acid,acetyldithio-,methyl ester; Abarelix; Carbamodithioic acid,acetyl-,methyl ester; Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Nα-Me-Tyr]-D-Asn-Leu-ILys-Pro-DAla-NH2; acetyl-dithiocarbamic acid methyl ester; Abarelix Acetate; Acetyl-dithiocarbamidsaeure-methylester |
| Molecular Formula | C72H95O14N14Cl1 |
| Molecular Weight | 1416.08 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 1688.4±65.0 °C at 760 mmHg |
| Storage Condition | -20°C |
| Application | Abarelix is a potent gonadotropin-releasing hormone (GnRH) antagonist used to treat prostate cancer. |
| MDL Number | MFCD06407663 |
| SMILES | CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)NC(Cc1cccnc1)C(=O)NC(CO)C(=O)N(C)C(Cc1ccc(O)cc1)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O |
| InChI | InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1 |
| InChI Key | AIWRTTMUVOZGPW-HSPKUQOVSA-N |
| MSDS | msds/9023_1_183552_38_7.pdf |
| Transport Info | Product name: Abarelix Acetate |
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