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Also known as: 3967-32-6, 5-(1-methyl-4-piperidyl)5h-dibenzo, 5-(1-methyl-4-piperidinyl)-5h-dibenzo[a,d]cyclohepten-5-ol, 2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol, 5h-dibenzo[a,d]cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-, 5h-dibenzo(a,d)cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-
Molecular Formula
C21H23NO
Molecular Weight
305.4  g/mol
InChI Key
NPSCPXDYXVEYQW-UHFFFAOYSA-N
FDA UNII
FW58SL2OZQ

CAS 3967-32-6
1 2D Structure

CAS 3967-32-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
2.1.2 InChI
InChI=1S/C21H23NO/c1-22-14-12-18(13-15-22)21(23)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,18,23H,12-15H2,1H3
2.1.3 InChI Key
NPSCPXDYXVEYQW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCC(CC1)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O
2.2 Other Identifiers
2.2.1 UNII
FW58SL2OZQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3967-32-6

2. 5-(1-methyl-4-piperidyl)5h-dibenzo

3. 5-(1-methyl-4-piperidinyl)-5h-dibenzo[a,d]cyclohepten-5-ol

4. 2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

5. 5h-dibenzo[a,d]cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-

6. 5h-dibenzo(a,d)cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-

7. Fw58sl2ozq

8. Dtxsid20863311

9. Zinc33985905

10. Cyproheptadine Related Compound C

11. Ft-0778032

12. Cyproheptadine Related Compound C [usp-rs]

13. Cyproheptadine Related Compound C [usp Impurity]

14. 5-(1-methyl-piperidin-4-yl)-5h-dibenzo(a,d)cyclohepten-5-ol

2.4 Create Date
2006-04-29
3 Chemical and Physical Properties
Molecular Weight 305.4 g/mol
Molecular Formula C21H23NO
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass305.177964357 g/mol
Monoisotopic Mass305.177964357 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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