1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-butoxy-N-[[4-(dimethylamino)oxan-4-yl]methyl]-3,5-dimethoxybenzamide;hydrochloride

2.1.2 InChI

InChI=1S/C21H34N2O5.ClH/c1-6-7-10-28-19-17(25-4)13-16(14-18(19)26-5)20(24)22-15-21(23(2)3)8-11-27-12-9-21;/h13-14H,6-12,15H2,1-5H3,(H,22,24);1H

2.1.3 InChI Key

GSCGQHXDHYVKOL-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

TV5HX81OTX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Opiranserin Hcl

2. 1440796-75-7

3. Tv5hx81otx

4. Opiranserin (hydrochloride)

5. Unii-tv5hx81otx

6. Benzamide, 4-butoxy-n-((4-(dimethylamino)tetrahydro-2h-pyran-4-yl)methyl)-3,5-dimethoxy-, Hydrochloride (1:1)

7. Vvz-149 (hydrochloride)

8. Schembl22806695

9. Ex-a7738a

10. Akos040759986

11. Hy-109067a

12. Da-76446

13. Ms-27669

14. Cs-0459996

2.4 Create Date

2013-06-17

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₅ClN₂O₅
Molecular Weight	431.0 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	69.3
Heavy Atom Count	29
Formal Charge	0
Complexity	454
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	2

Opiranserin Hydrochloride