GXM4PER6WZ

Chemistry

Chemistry

Also known as: 39219-28-8, 3-propoxy-17beta-methoxy-1,3,5(10)-estratriene, Promestriano, Colpotrophine, Gxm4per6wz, Promestrienum

Molecular Formula

C₂₂H₃₂O₂

Molecular Weight

328.5 g/mol

InChI Key

IUWKNLFTJBHTSD-AANPDWTMSA-N

FDA UNII

GXM4PER6WZ

Promestriene is a 3-propyl and 17b-methyl ether of estradiol that may be used vaginally to relieve vaginal atrophy and its associated symptoms. Upon intravaginal administration, promestriene acts on the vaginal mucosa and may decrease vaginal atrophy and its associated symptoms, such as vaginal dryness and itching.

1 2D Structure

GXM4PER6WZ

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(8R,9S,13S,14S,17S)-17-methoxy-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene

2.1.2 InChI

InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1

2.1.3 InChI Key

IUWKNLFTJBHTSD-AANPDWTMSA-N

2.1.4 Canonical SMILES

CCCOC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4OC)C

2.1.5 Isomeric SMILES

CCCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC)C

2.2 Other Identifiers

2.2.1 UNII

GXM4PER6WZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-propoxy-17 Beta-methoxy-1,3,5(10)-estratriene

2. Colpotrofin

3. Colpotrophine

4. Delipoderm

2.3.2 Depositor-Supplied Synonyms

1. 39219-28-8

2. 3-propoxy-17beta-methoxy-1,3,5(10)-estratriene

3. Promestriano

4. Colpotrophine

5. Gxm4per6wz

6. Promestrienum

7. Promestriene (inn)

8. Estra-1,3,5(10)-triene, 17-methoxy-3-propoxy-, (17b)-

9. Promestriene [inn]

10. 3-propyl Ethyl

11. 17b-methyl Estradiol

12. Unii-gxm4per6wz

13. Promestriene [inn:dcf]

14. Promestrienum [inn-latin]

15. Promestriano [inn-spanish]

16. Einecs 254-361-6

17. Colpotrophine (tn)

18. Promestriene [mart.]

19. Promestriene [who-dd]

20. Schembl5188890

21. Chembl2105394

22. Chebi:135402

23. Bcp05212

24. Zinc1999256

25. Mfcd00867247

26. S3657

27. Akos015895176

28. Ccg-267796

29. As-69299

30. Hy-108293

31. Cs-0028159

32. C90471

33. D07221

34. 17beta-methoxy-3-propoxyestra-1,3,5(10)-triene

35. 219p288

36. (1s,3as,3br,9bs,11as)-1-methoxy-11a-methyl-7-propoxy-1h,2h,3h,3ah,3bh,4h,5h,9bh,10h,11h,11ah-cyclopenta[a]phenanthrene

37. (8r,9s,13s,14s,17s)-17-methoxy-13-methyl-3-propoxy-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₂O₂
Molecular Weight	328.5 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	328.240230259 g/mol
Monoisotopic Mass	328.240230259 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	436
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1