1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(3,3-diphenylpropylamino)propyl 3,4,5-trimethoxybenzoate

2.1.2 InChI

InChI=1S/C28H33NO5/c1-31-25-19-23(20-26(32-2)27(25)33-3)28(30)34-18-10-16-29-17-15-24(21-11-6-4-7-12-21)22-13-8-5-9-14-22/h4-9,11-14,19-20,24,29H,10,15-18H2,1-3H3

2.1.3 InChI Key

IFYJCDHOWBSELI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCNCCC(C2=CC=CC=C2)C3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

5C8KR48J61

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(3,3-diphenylpropylamino)propyl-3',4',5'-trimethoxybenzoate Hydrochloride

2. Pf-26

2.3.2 Depositor-Supplied Synonyms

1. 23891-60-3

2. Mepramidil [inn]

3. Pf-26

4. 5c8kr48j61

5. Mepramidilum

6. 3-((3,3-diphenylpropyl)amino)propyl 3,4,5-trimethoxybenzoate

7. 3,4,5-trimethoxybenzoic Acid, 3-((3,3-diphenylpropyl)amino)propyl Ester

8. Mepramidilum [inn-latin]

9. Unii-5c8kr48j61

10. Mepramidil Hcl

11. 3-(3,3-diphenylpropylamino)propyl 3,4,5-trimethoxybenzoate

12. Schembl2110178

13. Chembl2105186

14. 3-(3,3-diphenylpropylamino)propyl 3,4,5-trimethoxybenzoat

15. Dtxsid40178590

16. Zinc4213776

17. Q27261825

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₃NO₅
Molecular Weight	463.6 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Exact Mass	463.23587315 g/mol
Monoisotopic Mass	463.23587315 g/mol
Topological Polar Surface Area	66 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	529
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Mepramidil

Mepramidil

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