CAS 42399-49-5 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 42399-49-5, (2s-cis)-(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one, Unii-6rn4n3305m, (2s,3s)-(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one, 6rn4n3305m, (2s,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5h)-one
Molecular Formula
C16H15NO3S
Molecular Weight
301.4  g/mol
InChI Key
LHBHZALHFIQJGJ-CABCVRRESA-N
FDA UNII
6RN4N3305M

CAS 42399-49-5
1 2D Structure

CAS 42399-49-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3S)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
2.1.2 InChI
InChI=1S/C16H15NO3S/c1-20-11-8-6-10(7-9-11)15-14(18)16(19)17-12-4-2-3-5-13(12)21-15/h2-9,14-15,18H,1H3,(H,17,19)/t14-,15+/m1/s1
2.1.3 InChI Key
LHBHZALHFIQJGJ-CABCVRRESA-N
2.1.4 Canonical SMILES
COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2)O
2.1.5 Isomeric SMILES
COC1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC3=CC=CC=C3S2)O
2.2 Other Identifiers
2.2.1 UNII
6RN4N3305M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 42399-49-5

2. (2s-cis)-(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one

3. Unii-6rn4n3305m

4. (2s,3s)-(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one

5. 6rn4n3305m

6. (2s,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4(5h)-one

7. Einecs 255-799-0

8. (2s,3s)-3-hydroxy-2-(4-methoxyphenyl)-3,5-dihydro-2h-1,5-benzothiazepin-4-one

9. Dtxsid6057744

10. Ec 255-799-0

11. Des[3-acetyl-5-(2-dimethylamino)ethyl] Diltiazem

12. (2s,3s)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one

13. (2s-cis)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one

14. 1,5-benzothiazepin-4(5h)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, (2s-cis)-

15. 3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one, (2s,3s)-

16. 3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one

17. (2s,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

18. Mfcd01321316

19. 27068-88-8

20. Diltiazem Hydrochloride Imp. E (ep); Diltiazem Imp. E (ep); (2s,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one; Diltiazem Hydrochloride Impurity E; Diltiazem Impurity E

21. Mls001180963

22. Schembl5020108

23. Chembl1872519

24. Dtxcid7031533

25. (2s)-cis-(+)-hydroxy Lactum

26. Amy8617

27. Lhbhzalhfiqjgj-cabcvrresa-n

28. Hms2791c04

29. Tox21_113796

30. Ac7780

31. Akos015855558

32. Akos015895094

33. Ac-8056

34. Ncgc00253672-01

35. As-15328

36. Smr000475704

37. Cas-42399-49-5

38. Cs-0107447

39. D3661

40. En300-7404439

41. A825888

42. Ac-509/25001342

43. Diltiazem Impurity E; Cis(+) Hydroxy Diltiazem

44. Brd-k83382329-001-06-8

45. Q27265384

46. Diltiazem Hydrochloride Impurity E [ep Impurity]

47. (+)-(2s,3s)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one

48. (+)-cis-2-(4-methoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4(5h)-one

49. (2s,3s)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1 ,5-benzothiazepin-4(5h)-one

50. (2s,3s)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepine-4(5h)-one

51. (2s,3s)-2.3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-on

52. Cis(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one

53. Cis-(+)-2-(4'-methoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepine-4(5h)-one

54. Cis-(+)-2-(4-methoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepine-4(5h)-one

55. Cis-2-(4-methoxyphenyl)-2,3-dihydro-3-hydroxy -1,5-benzothiazepin-4(5h)-one

56. Cis-2-(4-methoxyphenyl)-2,3-dihydro-3-hydroxy-1,5-benzothiazepin-4(5h)-one

57. (2s,3s)-3-hydroxy-2-(4-methoxy-phenyl)-2,3-dihydro-5h-benzo[b][1,4]thiazepin-4-one

58. (2s-cis)-(+)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one, 98%

59. Des[3-acetyl-5-(2-dimethylamino)ethyl] Diltiazem; (2s,3s)-3-(acetyloxy)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one; (2s-cis)-2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5h)-one

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 301.4 g/mol
Molecular Formula C16H15NO3S
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area83.9
Heavy Atom Count21
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty