CAS 27115-86-2|Dacuronium bromide

Introduction：Basic information about CAS 27115-86-2|Dacuronium bromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Synonyms

Common Name	Dacuronium bromide
CAS Number	27115-86-2	Molecular Weight	690.63300
Density	/	Boiling Point	/
Molecular Formula	C₃₃H₅₈Br₂N₂O₃	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-hydroxy-10,13-dimethyl-2 ,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15 ,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate d ibromide
Synonym	More Synonyms

Chemical & Physical Properties

Molecular Formula	C₃₃H₅₈Br₂N₂O₃
Molecular Weight	690.63300
Exact Mass	688.28100
PSA	46.53000
InChIKey	SUKULMJPMHYWKC-UHFFFAOYSA-L
SMILES	CC(=O)OC1CC2CCC3C(CCC4(C)C(O)C([N+]5(C)CCCCC5)CC34)C2(C)CC1[N+]1(C)CCCCC1.[Br-].[Br-]

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TN4924000

CHEMICAL NAME :: Piperidinium, 1,1'-(2-beta,16-beta-(3-alpha,17-beta-dihydroxy-5-alp ha-androstanylene)) bis(1-methyl-, dibromide, 3-alpha-acetate

CAS REGISTRY NUMBER :: 27115-86-2

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C33-H58-N2-O3.2Br

MOLECULAR WEIGHT :: 690.75

WISWESSER LINE NOTATION :: L E5 B666TJ A1 E1 FQ OOV1 G- AT6KTJ A1& P- AT6KTJ A1 &E 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2910 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,1116,1973

Safety Information

RIDADR	UN 2811 6.1 / PGIII

Synonyms

dactylomelol

dacuronium bromide

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