Zhejiang Xianju Pharmaceutical Co Ltd | CAS 50588-22-2 | Related Intermediates | Manufacturers & Suppliers

CAS 50588-22-2

Chemistry, 2 End Use API, 16 Related Intermediates

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Also known as: 50588-22-2, 2a,3a,16a,17a-diepoxy-17b-acetoxy-5a-androstane, [(1s,2s,4r,6s,8s,11r,12s,14r,16r,17s)-2,17-dimethyl-5,15-dioxahexacyclo[9.8.0.02,8.04,6.012,17.014,16]nonadecan-16-yl] acetate, Schembl3834054, Dtxsid901160278, Amy36882

Molecular Formula

C₂₁H₃₀O₄

Molecular Weight

346.5 g/mol

InChI Key

AEFVYXKODUCZPV-YMXFGFFISA-N

1 2D Structure

CAS 50588-22-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1S,2S,4R,6S,8S,11R,12S,14R,16R,17S)-2,17-dimethyl-5,15-dioxahexacyclo[9.8.0.02,8.04,6.012,17.014,16]nonadecan-16-yl] acetate

2.1.2 InChI

InChI=1S/C21H30O4/c1-11(22)24-21-18(25-21)9-15-13-5-4-12-8-16-17(23-16)10-19(12,2)14(13)6-7-20(15,21)3/h12-18H,4-10H2,1-3H3/t12-,13+,14-,15-,16-,17+,18+,19-,20-,21+/m0/s1

2.1.3 InChI Key

AEFVYXKODUCZPV-YMXFGFFISA-N

2.1.4 Canonical SMILES

CC(=O)OC12C(O1)CC3C2(CCC4C3CCC5C4(CC6C(C5)O6)C)C

2.1.5 Isomeric SMILES

CC(=O)O[C@]12[C@H](O1)C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C[C@@H]6[C@H](C5)O6)C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 50588-22-2

2. 2a,3a,16a,17a-diepoxy-17b-acetoxy-5a-androstane

3. [(1s,2s,4r,6s,8s,11r,12s,14r,16r,17s)-2,17-dimethyl-5,15-dioxahexacyclo[9.8.0.02,8.04,6.012,17.014,16]nonadecan-16-yl] Acetate

4. Schembl3834054

5. Dtxsid901160278

6. Amy36882

7. Zinc4081279

8. Mfcd09839022

9. Akos015896210

10. 2a,3a,16a,17a-diepoxy-17b-acetoxy-5aandrostane

11. 588d222

12. (2a,3a,5a,16a,17?)-androstan-17-ol-2,3,16,17-diepoxy Acetate

13. (2alpha,3alpha,5alpha,16alpha,17beta)-2,3:16,17-diepoxy-androstan-17-ol, Acetate

14. Androstan-17-ol, 2,3:16,17-diepoxy-, 17-acetate, (2alpha,3alpha,5alpha,16alpha,17beta)-

2.3 Create Date

2006-11-09

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₃₀O₄
Molecular Weight	346.5 g/mol
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	346.21440943 g/mol
Monoisotopic Mass	346.21440943 g/mol
Topological Polar Surface Area	51.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	648
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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