Physicochemical Properties
| Molecular Formula | C45H63N13O12S2.C2H4O2 |
| Molecular Weight | 1102.24358 |
| Exact Mass | 1041.416 |
| CAS # | 3397-23-7 |
| PubChem CID | 14257660 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 1616.2±65.0 °C at 760 mmHg |
| Flash Point | 931.3±34.3 °C |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.583 |
| LogP | -5.66 |
| Hydrogen Bond Donor Count | 13 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 18 |
| Heavy Atom Count | 72 |
| Complexity | 1940 |
| Defined Atom Stereocenter Count | 8 |
| SMILES | O=C([C@H]1N(C([C@@H](NC([C@H](CC(N)=O)NC([C@H](CCC(N)=O)NC([C@H](CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)N4)=O)=O)=O)=O)CSSC[C@H](N)C4=O)=O)CCC1)N[C@@H](CCCN)C(NCC(N)=O)=O |
| InChi Key | MUNMIGOEDGHVLE-LGYYRGKSSA-N |
| InChi Code | InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1 |
| Chemical Name | (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Additional Infomation |
Ornipressin is an oligopeptide. A synthetic analog of vasopressin with ORNITHINE substitution at residue 8 of the cyclic nonapeptide. It is used as a local vasoconstrictor and hemostatic. |
Solubility Data
| Solubility (In Vitro) | H2O : ~75 mg/mL (~71.96 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 50 mg/mL (47.98 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.9072 mL | 4.5362 mL | 9.0724 mL | |
| 5 mM | 0.1814 mL | 0.9072 mL | 1.8145 mL | |
| 10 mM | 0.0907 mL | 0.4536 mL | 0.9072 mL |