Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)-
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Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)-
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CAS No:
6533-68-2
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Formula:
C17H21NO4.BrH.3H2O
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Chemical Name:
Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)-
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Synonyms:
Benzeneacetic acid,α-(hydroxymethyl)-,(1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester,hydrobromide,hydrate (1:1:3),(αS)-;Benzeneacetic acid,α-(hydroxymethyl)-,9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester,hydrobromide,trihydrate,[7(S)-(1α,2β,4β,5α,7β)]-;Benzeneacetic acid,α-(hydroxymethyl)-,(1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester,hydrobromide,trihydrate,(αS)-;3-Oxa-9-azatricyclo[3.3.1.02,4]nonane,benzeneacetic acid deriv.;Hyoscine hydrobromide trihydrate;Scopolamine hydrobromide trihydrate;(-)-Scopolamine hydrobromide trihydrate;6791-70-4
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CAS No:
Description
white crystalline solid
Scopolamine hydrobromide trihydrate appears as white orthorhombic sphenoidal crystals from water. pH of 0.05 molar solution: 5.85. (NTP, 1992)
Scopolamine hydrobromide trihydrate appears as white orthorhombic sphenoidal crystals from water. pH of 0.05 molar solution: 5.85. (NTP, 1992)
Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)- Basic Attributes
438.31
437.104919
204-050-6
DTXSID0021258
29399990
Characteristics
89.99000
1.62120
white to off-white Crystals or Crystalline Powder
1.31 g/cm3
197-194 °C
460.3ºC at 760 mmHg
232.2ºC
-25.5 ° (C=5, H2O)
H2O: soluble 50mg/mL
Poison room
Is sensitive to air, light and moisture. Slightly efflorescent in dry air.
Alcohols and Polyols
SCOPOLAMINE HYDROBROMIDE TRIHYDRATE is incompatible with acids, bases and oxidizing agents. (NTP, 1992).
Safety Information
6.1
UN15446.1/PG3
1
26/27/28
45-25-1
YM4550000
T+
Stable, but air and light sensitive. Incompatible with acids, bases, strong oxidizing agents. Slightly hygroscopic.
P260-P264-P280-P284-P301 + P310-P302 + P350
H300-H310-H330
Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
|Danger|H300 (97.17%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 106 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store under refrigerated temperatures. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)- Use and Manufacturing
adrenergic agonist, nasal decongestant
Computed Properties
Molecular Weight:438.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:437.10491
Monoisotopic Mass:437.10491
Topological Polar Surface Area:65.3
Heavy Atom Count:26
Complexity:418
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:5
Compound Is Canonicalized:Yes
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