Hyoscyamine sulfate hydrate

Modify Date: 2025-08-20 18:24:06

Hyoscyamine sulfate hydrate Structure
Hyoscyamine sulfate hydrate structure
Common Name Hyoscyamine sulfate hydrate
CAS Number 620-61-1 Molecular Weight 676.817
Density N/A Boiling Point N/A
Molecular Formula C17H24NO5S0.5 Melting Point 205-206ºC
MSDS N/A Flash Point N/A

 Use of Hyoscyamine sulfate hydrate


L-Hyoscyamine sulfate (Daturine sulfate) is a tropane alkaloid that is a secondary metabolite found in certain plants of the solanaceae family. In vitro it has been shown to be an antagonist of mAChR[1].

 Names

Name l-hyoscyamine hemisulfate salt
Synonym More Synonyms

 Hyoscyamine sulfate hydrate Biological Activity

Description L-Hyoscyamine sulfate (Daturine sulfate) is a tropane alkaloid that is a secondary metabolite found in certain plants of the solanaceae family. In vitro it has been shown to be an antagonist of mAChR[1].
Related Catalog
References

[1]. Jones JB, et al. Sublingual hyoscyamine sulfate in combination with ketorolac tromethamine for ureteral colic: a randomized, double-blind, controlled trial. Ann Emerg Med. 2001 Feb;37(2):141-6.

 Chemical & Physical Properties

Melting Point 205-206ºC
Molecular Formula C17H24NO5S0.5
Molecular Weight 676.817
Exact Mass 676.302979
PSA 191.75000
LogP 4.10130
Index of Refraction -28 ° (C=5, H2O)
InChIKey HOBWAPHTEJGALG-YMCAWCDYSA-N
SMILES CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM6107000
CAS REGISTRY NUMBER :
620-61-1
LAST UPDATED :
199712
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C34-H46-N2-O6.H2-O4-S
MOLECULAR WEIGHT :
676.90

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
400 uL/kg/1D-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Cardiac - pulse rate increase, without fall in BP Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 15,532,1997
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
800 uL/kg/1D-I
TOXIC EFFECTS :
Behavioral - irritability Cardiac - pulse rate increase, without fall in BP Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 15,532,1997
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - infant
DOSE/DURATION :
400 uL/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Cardiac - pulse rate increase, without fall in BP Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
AJEMEN American Journal of Emergency Medicine. (WB Saunders, Philadelphia, PA) V.1- 1983- Volume(issue)/page/year: 15,532,1997
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
210 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 55,849,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80431 No. of Facilities: 967 (estimated) No. of Industries: 3 No. of Occupations: 9 No. of Employees: 3990 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80431 No. of Facilities: 445 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 14970 (estimated) No. of Female Employees: 12609 (estimated)

 Safety Information

Risk Phrases R26/28
Safety Phrases S1;S45;S24/25
RTECS YM6107000

 Hyoscyamine sulfate hydrateBioassay

View more

Name: Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1315
Name: The chemical genetic matrix (CGM) dataset as reported in Wildenhain et al. (2015) Pre...
Source: 11924
Target: N/A
External Id: CGM data for Cell Systems paper Dec 2015
Name: 96-well format Chlamydomonas reinhardtii Algae Gravitaxis Assay to measure the differ...
Source: University of Pittsburgh Molecular Library Screening Center
Target: N/A
External Id: MH081217, Chlamydomonas reinhardtii Gravitaxis Assay to Identify Small Molecule Inhibitors of Cilia.
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
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 Synonyms

Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate, hydrate (2:1:1) (salt)
Atropina Solfato
UNII:03J5ZE7KA5
L-TROPINE TROPATE SULFATE
atropine sulphate
L-Hyoscyamine Hemisulfate
atropin sulfate
Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)-, sulfate (2:1) (salt)
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate sulfate hydrate (2:1:1)
Atropine Sulfate Monohydrate
MFCD00078244
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate sulfate (2:1) hydrate (salt)
levsinsulfate
EINECS 210-644-6
Atropinsulfat
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate sulfate (2:1)
L-HYOSCYAMINE SULFATE
Hyoscyamine sulfate hydrate
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