CAS 119812-29-2

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Also known as: 119812-29-2, 3-((dimethylamino)methyl)-9-methyl-2,3-dihydro-1h-carbazol-4(9h)-one hydrochloride, 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1h-carbazol-4-one;hydrochloride, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazol-4-one hcl, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one hcl, (3rs)-3-(dimethylamino)methyl-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one hydrochloride

Molecular Formula

C₁₆H₂₁ClN₂O

Molecular Weight

292.80 g/mol

InChI Key

GFQLILQFQHMEPF-UHFFFAOYSA-N

1 2D Structure

CAS 119812-29-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one;hydrochloride

2.1.2 InChI

InChI=1S/C16H20N2O.ClH/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3;/h4-7,11H,8-10H2,1-3H3;1H

2.1.3 InChI Key

GFQLILQFQHMEPF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN(C)C.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 119812-29-2

2. 3-((dimethylamino)methyl)-9-methyl-2,3-dihydro-1h-carbazol-4(9h)-one Hydrochloride

3. 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1h-carbazol-4-one;hydrochloride

4. 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazol-4-one Hcl

5. 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one Hcl

6. (3rs)-3-(dimethylamino)methyl-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one Hydrochloride

7. 3-((dimethylamino)methyl)-1,2,3,9-tetrahydro-9-methyl-4h-carbazol-4-one Hydrochloride

8. Ec 601-635-1

9. Schembl5202651

10. Dtxsid40621031

11. Mfcd00800231

12. Akos015912143

13. 4h-carbazol-4-one, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-, Hydrochloride (1:1)

14. Cs-0442335

15. 614d707

16. A804362

17. 3-((dimethylamino)methyl)-9-methyl-2,3-dihydro-1h-carbazol-4(9h)-one Hcl

18. 3-((dimethylamino)methyl)-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one Hydrochloride

19. 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one Hydrochloride

20. 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1h-carbazol-4-one Hydrochloride

21. Ondansetron Related Compound A, United States Pharmacopeia (usp) Reference Standard

22. 3-[(dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one Hydrochloride, Pharmaceutical Impurity Standard

23. 3-[(dimethylamino)methyl]-9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one--hydrogen Chloride (1/1)

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₁ClN₂O
Molecular Weight	292.80 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	292.1342410 g/mol
Monoisotopic Mass	292.1342410 g/mol
Topological Polar Surface Area	25.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	355
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2