Homatropine hydrobromide 98.5%

CAT: 0286-H07240-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0286-H07240-01Size:1 g

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CAS Number

51-56-9

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00012676

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.

Precautions

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 hydrobromide

See also: Homatropine Hydrobromide (annotation moved to); Homatropine (annotation moved to).

CAS Number	51-56-9
PubChem CID	6419941
IUPAC Name	[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;hydrobromide
Molecular Formula	C16H22BrNO3
Molecular Weight	356.25
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	340

SMILES

CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br

InChI

InChI=1S/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14?,15?;

InChIKey

DWSGTFTVBLXELC-MOTQWOLNSA-N

Chemical Structure

2D Structure

CAS: 51-56-9

CID: 6419941

Formula: C16H22BrNO3

MW: 356.25

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	356.25
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	355.07831
Monoisotopic Mass	355.07831
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	340
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Homatropine hydrobromide 98.5%

Chemical Information

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