Viminol P-Hydroxybenzoate

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Also known as: Dividol, 23235-25-8, 6x91sds77o, Lenigesial, Viminol r2, 1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethanol;4-hydroxybenzoic acid

Molecular Formula

C₂₈H₃₇ClN₂O₄

Molecular Weight

501.1 g/mol

InChI Key

APVBKCLHWQSJAT-UHFFFAOYSA-N

FDA UNII

6X91SDS77O

1 2D Structure

Viminol P-Hydroxybenzoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethanol;4-hydroxybenzoic acid

2.1.2 InChI

InChI=1S/C21H31ClN2O.C7H6O3/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22;8-6-3-1-5(2-4-6)7(9)10/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3;1-4,8H,(H,9,10)

2.1.3 InChI Key

APVBKCLHWQSJAT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(C)N(CC(C1=CC=CN1CC2=CC=CC=C2Cl)O)C(C)CC.C1=CC(=CC=C1C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

6X91SDS77O

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dividol

2. Viminol 4-hydroxybenzoate

3. Viminol 4-hydroxybenzoate, Viminol 4-hydroxybenzoate (1:1)

4. Viminol Para-hydroxybenzoate

2.3.2 Depositor-Supplied Synonyms

1. Dividol

2. 23235-25-8

3. 6x91sds77o

4. Lenigesial

5. Viminol R2

6. 1-[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]-2-[di(butan-2-yl)amino]ethanol;4-hydroxybenzoic Acid

7. 23784-10-3

8. Viminol Para-hydroxybenzoate

9. Viminol R2 P-hydroxybenzoate

10. Diviminol Mono(p-hydroxybenzoate)

11. Unii-6x91sds77o

12. Dtxsid30945915

13. Viminol P-hydroxybenzoate [mi]

14. 1-(alpha-(n-o-chlorobenzyl)pyrryl)-2-di-sec-butylaminoethanol P-hydroxybenzoate

15. 1-(o-chlorobenzyl)-alpha-((di-sec-butylamino)methyl)pyrrole-2-methanol P-hydroxybenzoate

16. Viminol Hydroxybenzoate [who-dd]

17. 1h-pyrrole-2-methanol, Alpha-((bis(1-methylpropyl)amino)methyl)-1-((2-chlorophenyl)methyl)-, Mono(4-hydroxybenzoate) (salt)

18. 1h-pyrrole-2-methanol, Alpha-((bis(1-methylpropyl)amino)methyl)-1-((2-chlorophenyl)methyl)-, P-hydroxybenzoate

19. 4-hydroxybenzoic Acid Compd. With Alpha-((bis(1-methylpropyl)amino)methyl)-1-((2-chlorophenyl)methyl)-1h-pyrrole-2-methanol (1:1)

20. Benzoic Acid, 4-hydroxy-, Compd. With Alpha-((bis(1-methylpropyl)amino)methyl)-1-((2-chlorophenyl)methyl)-1h-pyrrole-2-methanol (1:1)

21. Benzoic Acid, P-hydroxy-, Compd. With 1-(o-chlorobenzyl)-alpha-((di-sec-butylamino)methyl)pyrrole-2-methanol (1:1)

22. Pyrrole-2-methanol, 1-(o-chlorobenzyl)-alpha-((di-sec-butylamino)methyl)-, Mono(p-hydroxybenzoate) (salt)

23. Pyrrole-2-methanol, 1-(p-chlorobenzyl)-alpha-((di-sec-butylamino)methyl)-, P-hydroxybenzoate (salt)

24. Q27265665

25. 1-(o-chlorobenzyl)-.alpha.-((di-sec-butylamino)methyl)pyrrole-2-methanol P-hydroxybenzoate

26. 1h-pyrrole-2-methanol, Alpha-((bis(1-methylpropyl)amino)methyl)-1-((2-chlorophenyl)methyl)-, 4-hydroxybenzoate (salt)

27. 4-hydroxybenzoic Acid--1-{1-[(2-chlorophenyl)methyl]-1h-pyrrol-2-yl}-2-[di(butan-2-yl)amino]ethan-1-ol (1/1)

28. Benzoic Acid, 4-hydroxy-, Compd. With Alpha-((bis(1-methylpropyl)amino)methyl)-1-((2-chlorophenyl)methyl)-1h-pyrrole-2-methanol

29. Benzoic Acid, P-hydroxy-, Compd. With 1-(o-chlorobenzyl)-alpha-((di-sec-butylamino)methyl)pyrrole-2-methanol

30. Pyrrole-2-methanol, 1-(o-chlorobenzyl)-alpha-((di-sec-butylamino)methyl)-, P-hydroxybenzoate (salt)

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₇ClN₂O₄
Molecular Weight	501.1 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	10
Exact Mass	500.2441854 g/mol
Monoisotopic Mass	500.2441854 g/mol
Topological Polar Surface Area	85.9 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	496
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2