Shenzhen Hwagen Pharmaceutical

CAS 119302-24-8

Chemistry, 4 End Use API, 14 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

MARKET PLACE

1 Intermediates

1 Intermediates

Also known as: 119302-24-8, Ta73ht9xmf, [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate, (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane, 3alpha-hydroxy-2beta-(morpholin-4-yl)-16beta-(pyrrolidin-1-yl)-5alpha-androstan-17beta-yl acetate, Unii-ta73ht9xmf

Molecular Formula

C₂₉H₄₈N₂O₄

Molecular Weight

488.7 g/mol

InChI Key

YBZSVMDKHBRYNB-RIQJFVKASA-N

FDA UNII

TA73HT9XMF

1 2D Structure

CAS 119302-24-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

2.1.2 InChI

InChI=1S/C29H48N2O4/c1-19(32)35-27-24(30-10-4-5-11-30)17-23-21-7-6-20-16-26(33)25(31-12-14-34-15-13-31)18-29(20,3)22(21)8-9-28(23,27)2/h20-27,33H,4-18H2,1-3H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1

2.1.3 InChI Key

YBZSVMDKHBRYNB-RIQJFVKASA-N

2.1.4 Canonical SMILES

CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)N6CCCC6

2.1.5 Isomeric SMILES

CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)N6CCCC6

2.2 Other Identifiers

2.2.1 UNII

TA73HT9XMF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 119302-24-8

2. Ta73ht9xmf

3. [(2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate

4. (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane

5. 3alpha-hydroxy-2beta-(morpholin-4-yl)-16beta-(pyrrolidin-1-yl)-5alpha-androstan-17beta-yl Acetate

6. Unii-ta73ht9xmf

7. Desallyl Rocuronium

8. Ec 601-596-0

9. Schembl1036319

10. Rocuronium Bromide Ep Impurity A

11. Dtxsid601035727

12. Mfcd09833552

13. Zinc59769910

14. Akos015966774

15. Ac-5927

16. (2b,3a,5a,16b,17b)-17-acetoxy-3-hydroxy-2-(4-morpholinyl)-16-(1-pyrrolidinyl)androstane(9ci)

17. 2beta-(4-morpholinyl)-16beta-(1-pyrrolidinyl)-5alpha-androstane-3alpha,17beta-diol 17-acetate

18. Ds-15502

19. Cs-0155031

20. C71637

21. Rocuronium Related Compound A (ep Impurity A)

22. 302a248

23. Q-101013

24. Rocuronium Bromide Impurity A [ep Impurity]

25. Rocuronium Related Compound A [usp Impurity]

26. 3-hydroxy-2-(morpholin-4-yl)-16-(pyrrolidin-1-yl)-5-androstan-17-yl Acetate

27. (2beta,3alpha,5alpha,16beta,17beta)-2-(4-morpholinyl)-16(1-pyrrolidinyl)-androstane-3,17-diol 17-acetate

28. 2beta-(4-morpholinyl)-16beta-(1-pyrrolidinyl)-5alpha-androstan-3alpha,17beta-diol 17-acetate

29. 3.alpha.-hydroxy-2.beta.-(morpholin-4-yl)-16.beta.-(pyrrolidin-1-yl)-5.alpha.-androstan-17.beta.-yl Acetate

30. Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate, (2.beta.,3.alpha.,5.alpha.,16.beta.,17.beta.)-

31. Androstane-3,17-diol, 2-(4-morpholinyl)-16-(1-pyrrolidinyl)-, 17-acetate, (2beta,3alpha,5alpha,16beta,17beta)-

2.4 Create Date

2007-05-22

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₄₈N₂O₄
Molecular Weight	488.7 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	488.36140802 g/mol
Monoisotopic Mass	488.36140802 g/mol
Topological Polar Surface Area	62.2 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	796
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

List of Suppliers

Full Screen View

Reset Filter

Ask Us

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

China

Virtual Booth

Digital Content

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

PDF Supplier PDF

URL Supplier Web Content

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.

ASK
US