Zhejiang Xianju Pharmaceutical Co Ltd | CAS 119302-19-1 | Related Intermediates | Manufacturers & Suppliers

CAS 119302-19-1

Chemistry, 2 End Use API, 16 Related Intermediates

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1 Intermediates

1 Intermediates

Also known as: 119302-19-1, Qy44ap6hzh, 2,3-epoxy-1h-cyclopenta[a]phenanthrene,androstan-17-ol, 2alpha,3alpha-epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17beta-ol, Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2a,3a,5a,16b,17b)-, (2alpha,3alpha,5alpha,16beta,17beta)-2,3-epoxy-16-(1-pyrrolidinyl)androstan-17-ol

Molecular Formula

C₂₃H₃₇NO₂

Molecular Weight

359.5 g/mol

InChI Key

OPYVYACKKDTREB-NXECLLCESA-N

FDA UNII

QY44AP6HZH

1 2D Structure

CAS 119302-19-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,2S,4R,6S,8S,11R,12S,14S,15R,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol

2.1.2 InChI

InChI=1S/C23H37NO2/c1-22-8-7-16-15(6-5-14-11-19-20(26-19)13-23(14,16)2)17(22)12-18(21(22)25)24-9-3-4-10-24/h14-21,25H,3-13H2,1-2H3/t14-,15+,16-,17-,18-,19-,20+,21-,22-,23-/m0/s1

2.1.3 InChI Key

OPYVYACKKDTREB-NXECLLCESA-N

2.1.4 Canonical SMILES

CC12CCC3C(C1CC(C2O)N4CCCC4)CCC5C3(CC6C(C5)O6)C

2.1.5 Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)N4CCCC4)CC[C@@H]5[C@@]3(C[C@@H]6[C@H](C5)O6)C

2.2 Other Identifiers

2.2.1 UNII

QY44AP6HZH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 119302-19-1

2. Qy44ap6hzh

3. 2,3-epoxy-1h-cyclopenta[a]phenanthrene,androstan-17-ol

4. 2alpha,3alpha-epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstan-17beta-ol

5. Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2a,3a,5a,16b,17b)-

6. (2alpha,3alpha,5alpha,16beta,17beta)-2,3-epoxy-16-(1-pyrrolidinyl)androstan-17-ol

7. (1s,2s,4r,6s,8s,11r,12s,14s,15r,16s)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol

8. 2,3-epoxy-1h-cyclopenta(a)phenanthrene,androstan-17-ol

9. Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2alpha,3alpha,5alpha,16beta,17beta)-

10. (2a,3a,5a,16b,17b)-2,3-epoxy-16-(1-pyrrolidinyl)androstan-17-ol

11. Unii-qy44ap6hzh

12. Ec 601-593-4

13. Rocuronium Impurity 2

14. Schembl3837726

15. Dtxsid201174294

16. Zinc22010902

17. Akos015896060

18. Ac-5925

19. A848323

20. 2alpha,3alpha-epoxy-16beta-(1-pyrrolidinyl)-5alpha-androstane-17beta-ol

21. (2

22. A,3

23. A,5

24. A,16

25. A,17

26. A)-2,3-epoxy-16-(1-pyrrolidinyl)androstan-17-ol

27. (2alpha,3alpha,5alpha,16beta,17beta)-2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol

28. (2alpha,3alpha,5alpha,16beta,17beta)2,3-epoxy-16-(1-pyrrolidinyl )-androstan-17-ol

29. (2alpha,3alpha,5alpha,16beta,17beta)2,3-epoxy-16-(1-pyrrolidinyl)-androstan-17-ol

30. 2.alpha.,3.alpha.-epoxy-16.beta.-(1-pyrrolidinyl)-5.alpha.-androstan-17.beta.-ol

31. (2.alpha.,3.alpha.,5.alpha.,16.beta.,17.beta.)-2,3-epoxy-16-(1-pyrrolidinyl)androstan-17-ol

32. Androstan-17-ol, 2,3-epoxy-16-(1-pyrrolidinyl)-, (2.alpha.,3.alpha.,5.alpha.,16.beta.,17.beta.)-

2.4 Create Date

2007-05-22

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₇NO₂
Molecular Weight	359.5 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	359.282429423 g/mol
Monoisotopic Mass	359.282429423 g/mol
Topological Polar Surface Area	36 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	589
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

119302-20-4

End Use API

Rocuronium Bromide

About the Company

With the high technology and excellent services, Xianju pharma earned a top worldwide reputation for qual...

With the high technology and excellent services, Xianju pharma earned a top worldwide reputation for quality in pharmaceutical industry. Xianju pharma has dedicated to scientific research since we were established in 1972.We developed over 100 Active Pharmaceutical Ingredients and finished formulations from then on , becoming a leader of steroids and hormones manufacturing in China. Xianju pharma has full of confidence to be a global supplier of active pharmaceutical ingredients with customized solid state specifications and unparalleled intellectual property that accomplishment our cooperation.

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