2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide

HCID 129896733CAS 1190105-66-8
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-]
InChIKey
SRMGVJLZFIUKGN-PWXDFCLTSA-M
Molecular formula
C34H55BrN2O4
Average molar mass
635.7 g/mol

Overview

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Names & identifiers

Preferred name
2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide
IUPAC
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
English name
2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide
Molecular formula
C34H55BrN2O4
Molecular weight
635.73

Names & synonyms

1190105-66-8Rocuronium Bromide EP Impurity F2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;bromideUNII-H51ZB97DB11-[3alpha,17beta-acetoxy-2beta-(pyrrolidin-1-yl)-5alpha-androstan-16beta-yl]-1-(prop-2-enyl)pyrrolidinium bromide1-allyl-1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3,17-diacetoxy-10,13-dimethyl-2-(pyrrolidin-1-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl)pyrrolidin-1-ium bromideC34H55BrN2O4Pyrrolidinium, 1-[(2ss,3a,5a,16ss,17ss)-3,17-bis(acetyloxy)-2-(1-pyrrolidinyl)androstan-16-yl]-1-(2-propen-1-yl)-, bromide (1:1); 1-[3a,17ss-Acetoxy-2ss-(pyrrolidin-1-yl)-5a-androstan-16ss-yl]-1-(prop-2-enyl)pyrrolidinium BromideRocuronium Bromide EP Impurity F BromideRocuronium EP Impurity FIR178405
Show more names
Rocuronium impurity FSRMGVJLZFIUKGN-PWXDFCLTSA-MRocuronium Bromide Impurity IIIRocuronium EP impurity F bromideRocuronium Bromide Impurity 6(EP Impurity F)1-allyl-1-((2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)
[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetoxy-16-(1-allylpyrrolidin-1-ium-1-yl)-10,13-dimethyl-2-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;bromide1-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-Bis(acetyloxy)-2-(1-pyrrolidinyl)androstan-16-yl]-1-(2-propen-1-yl)-pyrrolidinium1-[3|A,17|A-acetoxy-2|A-(pyrrolidin-1-yl)-5|A-androstan-16|A-yl]-1-(prop-2-enyl)pyrrolidinium bromide

Database identifiers

CAS
1190105-66-8
PubChem CID
129896733

Properties

Computed structural properties

Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
41

Physicochemical properties

Melting point
144 oC · >144oC (dec.)
storage temp.
Refrigerator
solubility
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form
Solid
color
White to Light Beige
Symbol(GHS)
6 · GHS06

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H300-H310-H330
Precautionary statements
P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501

Chemistry & industry

Applications

Uses2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide (Rocuronium EP Impurity F) is an impuritiy of Rocuronium bromide (R639500), an aminosteroid and a competitive neuromuscular blocker.

Uses2-Pyrrolidinyl-3-acetyl Desmorpholinylrocuronium Bromide 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]
成都超九八生物科技有限公司13348960310 13348960310 · [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]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

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