Rocuronium Bromide EP Impurity H

HCID 129896735CAS 1190105-67-9

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Basic information

Standard SMILES: C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5CC(=O)C(N6CCOCC6)=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]
InChIKey: FDZFJGLEXRXQBW-DUSLXELINA-M
Molecular formula: C32H49BrN2O4
Average molar mass: 605.6 g/mol

Overview

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Names & identifiers

Preferred name: Rocuronium Bromide EP Impurity H
IUPAC: [(5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-3-oxo-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate bromide
English name: 1,2-Dehydro-3-oxo RocuroniuM BroMide
Molecular formula: C32H49BrN2O4
Molecular weight: 605.65

Names & synonyms

1190105-67-91,2-Dehydro-3-oxo Rocuronium BromideRocuronium Bromide EP Impurity HRocuronium EP Impurity H1-((5S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-10,13-dimethyl-2-morpholino-3-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-16-yl)-1-allylpyrrolidin-1-ium bromidePyrrolidinium, 1-[(5a,16ss,17ss)-17-(acetyloxy)-2-(4-morpholinyl)-3-oxoandrost-1-en-16-yl]-1-(2-propen-1-yl)-, bromide (1:1); 1-[17ss-Acetoxy-2-(morpholin-4-yl)-3-oxo-5a-androst-1-en-16ss-yl]-1-(prop-2-enyl)pyrrolidinium BromideRocuronium impurity H1-((5S,8R,9S,10S,13S,14S,16S,17R)Rocuronium Bromide Intermediate HRocuronium Bromide EP Impurity H BromideRocuronium Bromide Impurity 8(EP Impurity H)RocuroniuM BroMide IMpurity 21 (EP iMpurity H)

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Rocuronium Bromide Impurity 8（Rocuronium Bromide EP Impurity H）

Database identifiers

CAS: 1190105-67-9
PubChem CID: 129896735

Properties

Computed structural properties

Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 39
Formal charge: 0
Complexity: 995

Physicochemical properties

Melting point: 155 · 155 - 160°C
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Chloroform (Slightly, Sonicated), Methanol (Slightly)
form: Solid
color: White to Dark Yellow
Stability: Hygroscopic
InChIKey: FDZFJGLEXRXQBW-DUSLXELINA-M
SMILES: [Br-].C1(N2CCOCC2)=C[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(CC=C)CCCC5)C[C@@H]4[C@@H]3CC[C@@H]2CC1=O |&1:9,11,14,16,21,31,32,35,r|
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses1,2-Dehydro-3-oxo Rocuronium Bromide (Rocuronium EP Impurity H) is an impuritiy of Rocuronium bromide (R639500), an aminosteroid and a competitive neuromuscular blocker.

Uses1,2-Dehydro-3-oxo Rocuronium is an impuritiy of Rocuronium bromide (R639500), an aminosteroid and a competitive neuromuscular blocker.

Suppliers50 total

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [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]

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