HuagongsheHuagongshe Chemistry Print Report · For research reference only
Androstane-3,17-diol,2-(4-pyrrolidinyl)-16-(1-
Rocuronium Impurity 13 · Rocuronium Dipyrolidine Diol · Rocuronium Bromide Impurity 8 · Rocuronium Bromide Impurity 50 · pyrrolidinyl)-, (2β,3α,5α,16β,17β)- · Androstane-3,17-diol,2-(4- pyrrolidinyl)-16-(1- · (2β,3α,5α,16β,17β)-2,16-di-1-Pyrrolidinylandrostane-3,17-diol · (2b,3a,5a,16b,17b)-2,16-di-1-Pyrrolidinylandrostane-3,17-diol
Identifiers & Physical Properties
| CAS No. | 144209-33-6 |
|---|---|
| Molecular formula | C27H46N2O2 |
| Average molar mass | 430.7 g/mol |
| SMILES | CC12CC(N3CCCC3)C(O)CC1CCC1C2CCC2(C)C(O)C(N3CCCC3)CC12 |
| InChIKey | BYFWHQOQVWTTLG-QJRNWJQSSA-N |
| PubChem CID | 76061800 |
| EC No. | 806-469-5 |
Chemical & Physical Properties
| XLogP | 4.7 |
|---|---|
| Topological polar surface area | 46.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 674 |
| Solubility | Chloroform (Slightly), Methanol (Very Slightly), Pyridine (Slightly) |
| Physical state | Solid |
| Color | White to Off-White |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H312-H332 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H312-H332 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312 |
Applications & Uses
Uses
(2b,3a,5a,16b,17b)-2,16-di-1-Pyrrolidinylandrostane-3,17-diol is an impuritiy of Rocuronium bromide (R639500), an aminosteroid and a competitive neuromuscular blocker.