Synonym: Saquinavir mesylate; (2S)-N1[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-2-[(2-quinolinylcarbonyl)amino]butanediamide methanesulfonate; Ro-31-8959
CAS Number: 149845-06-7
Empirical Formula (Hill Notation): C38H50N6O5·CH4O3S
Molecular Weight: 766.95
MDL Number: MFCD00944907
Linear Formula: C38H50N6O5·CH4O3S
Product Type: Chemical
application(s) |
pharmaceutical (small molecule) |
format |
neat |
grade |
pharmaceutical primary standard |
InChI |
1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1 |
InChI key |
IRHXGOXEBNJUSN-YOXDLBRISA-N |
manufacturer/tradename |
EDQM |
SMILES string |
CS(O)(=O)=O.CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(N)=O)NC(=O)c4ccc5ccccc5n4 |
storage temp. |
2-8°C |
Biochem/physiol Actions: |
Saquinavir is an HIV Protease Inhibitor used in antiretroviral therapy. It inhibits both HIV-1 and HIV-2 proteases. Studies have also looked at saquinavir as a possible anti-cancer agent. |
Caution: |
Please find SDS provided by EDQM here. ![External link](https://krackeler.com/images/sigma/ext-link.gif) . |
General description: |
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets have been developed and issued under the Authority of the issuing Pharmacopoeia.For further information and support please go to the website of the issuing Pharmacopoeia ![External link](https://krackeler.com/images/sigma/ext-link.gif) . |
Other Notes: |
Sales restrictions may apply. |
Packaging: |
Unit quantity: 70 mg. Subject to change. The product is delivered as supplied by the issuing Pharmacopoeia. For the current unit quantity, please visit the EDQM reference substance catalogue ![External link](https://krackeler.com/images/sigma/ext-link.gif) . |
RIDADR |
NONH for all modes of transport |
WGK Germany |
WGK 3 |
Flash Point(F) |
Not applicable |
Flash Point(C) |
Not applicable |
Storage Temp. |
2-8°C |
UNSPSC |
41116107 |