
CAS Number37025-55-1
SynonymsCARBETOCIN TRIFLUOROACETATE SALT; (2-O-Methyltyrosine)deamino-1-carbaoxytocin; Deamino-2-O-methyltyrosine-1-carbaoxytocin; Lonactene; 1-Butanoic Acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin; d(COMOT); Pabal; Carbetocin; (BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCIN TRIFLUOROACETATE SALT; 1-Desamino-1-monocarba-[2-tyr(OMe)]-OT; 1-Butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin; Depotocin; Duratocin; Carbetocin Acetate; Carbansin
Molecular FormulaC45H69N11O12S
Molecular Weight988.161
Purity97%
Density1.2±0.1 g/cm3
Boiling Point1477.9±65.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 37025-55-1 |
| Catalog No. | 2A-9041899 |
| Chinese Name | 醋酸卡贝缩宫素 |
| Synonyms | CARBETOCIN TRIFLUOROACETATE SALT; (2-O-Methyltyrosine)deamino-1-carbaoxytocin; Deamino-2-O-methyltyrosine-1-carbaoxytocin; Lonactene; 1-Butanoic Acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin; d(COMOT); Pabal; Carbetocin; (BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCIN TRIFLUOROACETATE SALT; 1-Desamino-1-monocarba-[2-tyr(OMe)]-OT; 1-Butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin; Depotocin; Duratocin; Carbetocin Acetate; Carbansin |
| Molecular Formula | C45H69N11O12S |
| Molecular Weight | 988.161 |
| Purity | 97 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 1477.9±65.0 °C at 760 mmHg |
| Storage Condition | 2-8℃ |
| Application | Carbetocin (Lonactene; Duratocin) is a peripheral oxytocin receptor agonist that can control postpartum hemorrhage. |
| SMILES | CCC(C)C1NC(=O)C(Cc2ccc(OC)cc2)NC(=O)CCCSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O |
| InChI | InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(67)50-28(15-16-34(46)58)40(63)51-30(21-35(47)59)41(64)53-31(23-69-18-8-10-37(61)55(5)33(43(66)54-38)20-26-11-13-27(57)14-12-26)45(68)56-17-7-9-32(56)42(65)52-29(19-24(2)3)39(62)49-22-36(48)60/h11-14,24-25,28-33,38,57H,6-10,15-23H2,1-5H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,63)(H,52,65)(H,53,64)(H,54,66)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1 |
| InChI Key | NSTRIRCPWQHTIA-DTRKZRJBSA-N |
| Transport Info | Product Name: Carbetocin Acetate |
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