Basic information
- CAS
73319-30-9- Standard 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- Molecular formula
- C30H53BrN2O2
- Average molar mass
- 553.7 g/mol
- Monoisotopic mass
- 552.32904
Names & identifiers
- Preferred name
- (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
- IUPAC
- (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
- English name
- 3,17-bis-deacetylvecuronium
- Molecular formula
- C30H53BrN2O2
- Molecular weight
- 553.66
Names & synonyms
16-(1-Methylpiperidin-1-ium-1-yl)-2-(piperidin-1-yl)androstane-3,17-diol bromideDTXSID00994036(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 bromideDB-246928(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(8xi,9xi,14xi)-16beta-(1-Methylpiperidin-1-ium-1-yl)-2beta-(piperidin-1-yl)-5alpha-androstane-3alpha,17beta-diol bromideOrg 7402Vecuronium EP Impurity D3,17-bis-deacetylvecuroniumVecuronium bromide impurity CVecuronium Bromide EP Impurity DVecuroniuM BroMide Related CoMpound C
Show more names
Vecuronium Bromide EP Impurity D BromideVecuronium Bromide Impurity 4(Vecuronium Bromide EP Impurity D)
Properties
Computed structural properties
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 746
Physicochemical properties
- Major Application
- 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
- 60 OOL7F2LC · 60OOL7F2LC
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H330-H300
- Precautionary statements
- 262 · 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
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933399090 · 2933399090
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- hs_code
- 2933399090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H310-H330-H300
- 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
Chemistry & industry
Applications
Uses1-[(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.
Uses1-[(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.
Suppliers31 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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