Products for Research Use Only

Homatropine methyl bromide

CAT: 0286-H07260-01Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0286-H07260-01Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
80-49-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00050292
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Homatropine Methylbromide

Homatropine methylbromide is an azabicycloalkane and an organic bromide salt. It has a role as a muscarinic antagonist, an anti-ulcer drug and an antispasmodic drug.

CAS Number80-49-9
PubChem CID6646
IUPAC Name(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate bromide
Molecular FormulaC17H24BrNO3
Molecular Weight370.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity373
SMILES
C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-]
InChI
InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1
InChIKey
FUFVKLQESJNNAN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Homatropine Methylbromide
CAS: 80-49-9
CID: 6646
Formula: C17H24BrNO3
MW: 370.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight370.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass369.09396
Monoisotopic Mass369.09396
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity373
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes