CAS 13522-16-2

Chemistry, 2 End Use API, 21 Related Intermediates

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Also known as: 13522-16-2, 2,16-dipiperidin-1-ylandrosta-3,17-diol, (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,16-di(piperidin-1-yl)hexadecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol, (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol, 2,16-dipiperidin-1-yl-androsta-3,17-diol, Einecs 236-866-3

Molecular Formula

C₂₉H₅₀N₂O₂

Molecular Weight

458.7 g/mol

InChI Key

SMEIBKQQBOLIMJ-RIQJFVKASA-N

1 2D Structure

CAS 13522-16-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

2.1.2 InChI

InChI=1S/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1

2.1.3 InChI Key

SMEIBKQQBOLIMJ-RIQJFVKASA-N

2.1.4 Canonical SMILES

CC12CCC3C(C1CC(C2O)N4CCCCC4)CCC5C3(CC(C(C5)O)N6CCCCC6)C

2.1.5 Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)N4CCCCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCCCC6)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 13522-16-2

2. 2,16-dipiperidin-1-ylandrosta-3,17-diol

3. (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,16-di(piperidin-1-yl)hexadecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol

4. (2s,3s,5s,8r,9s,10s,13s,14s,16s,17r)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol

5. 2,16-dipiperidin-1-yl-androsta-3,17-diol

6. Einecs 236-866-3

7. Schembl11134468

8. Dtxsid80928910

9. Mfcd09952333

10. Akos015917781

11. Zinc118912521

12. Ds-16146

13. Cs-0086285

14. 2,16-di(piperidin-1-yl)androstane-3,17-diol

15. 522d162

16. 2beta,16beta-di(1-piperidinyl)-5alpha-androstane-3alpha,17beta-diol

17. (8r,9s,10s,13s,14s)-10,13-dimethyl-2,16-di(piperidin-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,17-diol

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₅₀N₂O₂
Molecular Weight	458.7 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	458.38722884 g/mol
Monoisotopic Mass	458.38722884 g/mol
Topological Polar Surface Area	46.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	704
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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Vecuronium Int N-2

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13522-16-2

End Use API

Vecuronium Bromide

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Suanfarma founded in 1993, is a B2B life science partner committed to health & innovation by developing, ...

Suanfarma founded in 1993, is a B2B life science partner committed to health & innovation by developing, manufacturing, & distributing high-quality APIs for the pharmaceutical industry innovatively & sustainably. Backed by a robust global network of 12 strategically located local offices, we cater to the needs of over 400 active customers in 70+ countries. At Suanfarma we offer our CDMO capacity for fermentation & chemical synthesis projects, offering a One Stop Shop service with a solid track record, & which allows us to achieve success in the development, scaling, manufacturing, & commercialization of an API, either innovative or generic.

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2,16-Dipiperidin-1-ylandrosta-3,17-diol

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13522-16-2

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Rocuronium Bromide

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Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...

Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.