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Deptropine

CAT: 1596-AR-D06771-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06771-02Size:25 Units
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CAS Number
604-51-3
Molecular Formula
C24H28O
Molecular Weight
332.49
API Name
Deptropine

Chemical Information

Deptropine

Deptropine is an azabicycloalkane that is the 10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl ether of tropine. It has a role as a H1-receptor antagonist, a muscarinic antagonist and a parasympatholytic. It is an ether and an azabicycloalkane. It is functionally related to a tropine.

CAS Number604-51-3
PubChem CID203911
IUPAC Name(1R,5S)-8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
Molecular FormulaC23H27NO
Molecular Weight333.5
XLogP4.8
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity427
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20?
InChIKey
ZWPODSUQWXAZNC-YOFSQIOKSA-N
Chemical Structure
2D Structure
2D structure of Deptropine
CAS: 604-51-3
CID: 203911
Formula: C23H27NO
MW: 333.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass333.209264485
Monoisotopic Mass333.209264485
Topological Polar Surface Area12.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5812394Deptropine citrate
271469-01Deptropine discontinued
D288360Deptropine Maleate
RM-D051702-01Deptropine Citrate EP Impurity B
RM-D051704-01Deptropine Citrate EP Impurity D
RM-T181600-01Tropine; Tropisetron hydrochloride EP Impurity A; Deptropine citrate EP Impurity A

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