(2S,3S,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol bromide
Org 7402 · Vecuronium EP Impurity D · 3,17-bis-deacetylvecuronium · Vecuronium bromide impurity C · Vecuronium Bromide EP Impurity D · VecuroniuM BroMide Related CoMpound C · Vecuronium Bromide EP Impurity D Bromide · Vecuronium Bromide Impurity 4(Vecuronium Bromide EP Impurity D)
![(2S,3S,5S,10S,13S,16S,17R)-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol bromide molecular structure](/img/chemical/175461.png)
Identifiers & Physical Properties
| CAS No. | 73319-30-9 |
|---|---|
| Molecular formula | C30H53BrN2O2 |
| Average molar mass | 553.7 g/mol |
| Monoisotopic mass | 552.32904 g/mol |
| SMILES | C[C@]12CCC3C(CC[C@H]4C[C@H](O)[C@@H](N5CCCCC5)C[C@]34C)C1C[C@H]([N+]1(C)CCCCC1)[C@@H]2O.[Br-] |
| InChIKey | DIGWZHJLXJPNBY-RXKWVREZSA-M |
| PubChem CID | 175461 |
| DTXSID | DTXSID00994036 |
Chemical & Physical Properties
| Topological polar surface area | 43.7 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 35 |
| Formal charge | 0 |
| Complexity | 746 |
| Major applications | pharmaceutical (small molecule) |
| InChIKey | DIGWZHJLXJPNBY-RXKWVREZSA-M |
| SMILES | [Br-].[N+]6(CCCCC6)([C@@H]1[C@@H]([C@@]2(C(C3C([C@@]4([C@H](C[C@@H]([C@H](C4)N5CCCCC5)O)CC3)C)CC2)C1)C)O)C |
| FDA UNII | 60OOL7F2LC |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H310-H330-H300 |
| GHS precautionary statements | P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501 |
| Water hazard class (WGK) | WGK 3 |
| Customs code | 2933399090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Water hazard class (WGK) | WGK 3 |
|---|---|
| Customs code | 2933399090 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H310-H330-H300 |
| GHS precautionary statements | P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501 |
Applications & Uses
Uses
1-[(2β,3α,5α,16β17β)-3,17-Dihydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methylpiperidinium Bromide (Vecuronium Bromide USP Related Compound C), is the derivative of Vecuronium Bromide (V102500), a muscle relaxant in the category of non-depolarizing blocking agents.
Uses
1-[(2β,3α,5α,16β17β)-3,17-Dihydroxy-2-(1-piperidinyl)androstan-16-yl]-1-methylpiperidinium Bromide, is the derivative of Vecuronium Bromide (V102500), a muscle relaxant in the category of non-depolarizing blocking agents.