Shenzhen Hwagen Pharmaceutical

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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(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-m...

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CAS Number

119302-20-4

End Use API

Rocuronium Bromide

About the Company

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...

Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.

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