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Pyrroliphene HCl

CAT: 0931-T202453-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202453-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5591-44-6
Bioactivity
Pyrroliphene is a dialkylamino dibenzylbutanol ester with antitussive and analgesic properties.
Smiles
Cl.O=C(OC(C=1C=CC=CC1)(CC=2C=CC=CC2)C(C)CN3CCCC3)C
Molecular Formula
C23H30ClNO2
Molecular Weight
387.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pyrroliphene Hydrochloride
CAS Number5591-44-6
PubChem CID22027018
IUPAC Name(3-methyl-1,2-diphenyl-4-pyrrolidin-1-ylbutan-2-yl) acetate;hydrochloride
Molecular FormulaC23H30ClNO2
Molecular Weight387.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity433
SMILES
CC(CN1CCCC1)C(CC2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C.Cl
InChI
InChI=1S/C23H29NO2.ClH/c1-19(18-24-15-9-10-16-24)23(26-20(2)25,22-13-7-4-8-14-22)17-21-11-5-3-6-12-21;/h3-8,11-14,19H,9-10,15-18H2,1-2H3;1H
InChIKey
QDWFLIRNVGQZLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrroliphene Hydrochloride
CAS: 5591-44-6
CID: 22027018
Formula: C23H30ClNO2
MW: 387.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass387.1965069
Monoisotopic Mass387.1965069
Topological Polar Surface Area29.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity433
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
GTR19242094-01Pyrroliphene HCl

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