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2D Structure
Also known as: Ciramadol hcl, Ciradol, Ciramadol hydrochloride [usan], 63323-46-6, Wy-15,705 hcl, 090xo8449j
Molecular Formula
C15H24ClNO2
Molecular Weight
285.81  g/mol
InChI Key
XBNIHQOJYIOGEU-HWKASLJMSA-N
FDA UNII
090XO8449J

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[(R)-dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol;hydrochloride
2.1.2 InChI
InChI=1S/C15H23NO2.ClH/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18;/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3;1H/t13-,14+,15-;/m0./s1
2.1.3 InChI Key
XBNIHQOJYIOGEU-HWKASLJMSA-N
2.1.4 Canonical SMILES
CN(C)C(C1CCCCC1O)C2=CC(=CC=C2)O.Cl
2.1.5 Isomeric SMILES
CN(C)[C@H]([C@H]1CCCC[C@H]1O)C2=CC(=CC=C2)O.Cl
2.2 Other Identifiers
2.2.1 UNII
090XO8449J
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-cis-2-(alpha-dimethylamino-m-hydroxybenzyl)cyclohexanol.hcl

2. Ciramadol

3. Ciramadol, (1r-1alpha(r*),2alpha)-isomer

4. Phenol, 3-((dimethylamino)(2-hydroxycyclohexyl)methyl)-, Hydrochloride, (1alpha(r*),2alpha)-(-)-

5. Wy-15,705

2.3.2 Depositor-Supplied Synonyms

1. Ciramadol Hcl

2. Ciradol

3. Ciramadol Hydrochloride [usan]

4. 63323-46-6

5. Wy-15,705 Hcl

6. 090xo8449j

7. Ciramadol Hydrochloride (usan)

8. 3-[(r)-dimethylamino-[(1r,2r)-2-hydroxycyclohexyl]methyl]phenol;hydrochloride

9. Wy 15705 Hydrochloride

10. Unii-090xo8449j

11. Einecs 264-099-4

12. Schembl121279

13. Chembl2104041

14. Dtxsid40979443

15. Wy-15705 Hydrochloride

16. Wy-15,705 Hydrochloride

17. Ciramadol Hydrochloride [mi]

18. (-)-(1r,2r)-2-((r)-alpha-(dimethylamino)-m-hydroxybenzyl)cyclohexanol Hydrochloride

19. D03524

20. Q27236440

21. 3-[(dimethylamino)(2-hydroxycyclohexyl)methyl]phenol--hydrogen Chloride (1/1)

22. (-)-(1r,2r)-2-((r)-.alpha.-(dimethylamino)-m-hydroxybenzyl)cyclohexanol Hydrochloride

23. (1r-(1alpha(r*),2alpha)-(3-hydroxy-(alpha-(2-hydroxycyclohexyl)benzyl)dimethylammonium Chloride

24. Phenol, 3-((dimethylamino)(2-hydroxycyclohexyl)methyl)-, Hydrochloride, (1r-(1.alpha.(r*),2.alpha.))- (-)-

25. Phenol, 3-((dimethylamino)(2-hydroxycyclohexyl)methyl)-, Hydrochloride, (1r-(1alpha(r*),2alpha))- (-)-

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 285.81 g/mol
Molecular Formula C15H24ClNO2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass285.1495567 g/mol
Monoisotopic Mass285.1495567 g/mol
Topological Polar Surface Area43.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity257
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Analgesics

Compounds capable of relieving pain without the loss of CONSCIOUSNESS. (See all compounds classified as Analgesics.)