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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

CAS 119812-29-2
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 Weight 292.80 g/mol
Molecular Formula C16H21ClN2O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass292.1342410 g/mol
Monoisotopic Mass292.1342410 g/mol
Topological Polar Surface Area25.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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