Basic information
- CAS
52212-02-9- Standard SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-]- InChIKey
TXWBOBJCRVVBJF-YTGGZNJNSA-L- Molecular formula
- C35H62Br2N4O4
- Average molar mass
- 762.7 g/mol
- Monoisotopic mass
- 760.31378
Overview
Pipecuronium bromide is a steroid ester.
Names & identifiers
- Preferred name
- Pipecuronium Bromide
- IUPAC
- [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
- English name
- Pipecuronium bromide
- Molecular formula
- C35H62Br2N4O4
- Molecular weight
- 762.69918
Names & synonyms
PIPECURONIUM BROMIDE52212-02-9Pipecurium bromideArduanPipecuronio bromuroRGH-1106RGH 1106Pipecuronium bromide anhydrousBromuro de pipecuronioBromure de pipecuroniumDTXSID8023478R6ZTY81RE1
Show more names
PipecuroniumArdtmD00764Arduan (tn)Pipecuriurn BrmnidePIPECURINIUM BROMIDE
Pipecuronii bromidumBromide, PipecuriumBromide, PipecuroniumDTXCID403478RefChem:58792M03AC06RGH1106Pipecuronium (bromide)
Database identifiers
- CAS
52212-02-9- PubChem CID
- 65332
- DTXSID
DTXSID8023478- ChEMBL
CHEMBL1200722- ChEBI
CHEBI:8231- UNII
- R6ZTY81RE1
- EC Number
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,060
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 262 · 262-264° (dec)
- alpha
- 25 · D25 +8.1° (c = 1 in water)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMSO, Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- InChIKey
- TXWBOBJCRVVBJF-LQDGISGANA-L
- CAS DataBase Reference
- 52212 · 52212-02-9(CAS DataBase Reference)
- FDA UNII
- 6 ZTY81RE1 · R6ZTY81RE1
- ATC code
- 3 AC06 · M03AC06
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 312 · H312-H331-H300
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (94.4%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P317, P321, P330, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (94.4%)
Safety data
- Toxicity
- LD50 in mice, rats (mg/kg): 29.7, 172.6 i.v.; 70.6, 449.6 i.p.; 60.5, 455.8 s.c. (Kárpáti, Biro)
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H312-H331-H300
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Pharmacology
ATC Code
M - Musculo-skeletal system
QM - Musculo-skeletal system
MeSH Pharmacological Classification
Drugs that interrupt transmission at the skeletal neuromuscular junction without causing depolarization of the motor end plate. They prevent acetylcholine from triggering muscle contraction and are used as muscle relaxants during electroshock treatments, in convulsive states, and as anesthesia adjuvants.
Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.
Applications
UsesPipecuronium Bromide is a muscle relaxant and an anaesthesia used in patients undergoing coronary artery bypass graft surgery.
General DescriptionPipecurium bromide, 4,4 -(3 ,17 -dihydroxy-5 -androstan-2 ,16 -ylene)bis(1,1-dimeth-ylpiperazinium)dibromide diacetate (Arduan), is anondepolarizing muscle relaxant similar, both chemicallyand clinically, to pancuronium bromide. It is a long-actingdrug indicated as an adjunct to anesthesia and in patients undergoingmechanical ventilation.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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