Beijing Mesochem Technology

CAS 1215268-15-7

Chemistry, 3 End Use API, 71 Related Intermediates

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Also known as: 1215268-15-7, 1402150-30-4, 2-(((3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl)oxy)ethanol ethanedioate, 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol oxa, 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;oxalic acid, 2-[[(3as,4r,6s,6ar)-4-aminotetrahydro-2,2-dimethyl-3ah-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol oxa

Molecular Formula

C₁₂H₂₁NO₈

Molecular Weight

307.30 g/mol

InChI Key

HIQMXNAXTWONJI-WZSOELRKSA-N

1 2D Structure

CAS 1215268-15-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;oxalic acid

2.1.2 InChI

InChI=1S/C10H19NO4.C2H2O4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12;3-1(4)2(5)6/h6-9,12H,3-5,11H2,1-2H3;(H,3,4)(H,5,6)/t6-,7+,8+,9-;/m1./s1

2.1.3 InChI Key

HIQMXNAXTWONJI-WZSOELRKSA-N

2.1.4 Canonical SMILES

CC1(OC2C(CC(C2O1)OCCO)N)C.C(=O)(C(=O)O)O

2.1.5 Isomeric SMILES

CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)OCCO)N)C.C(=O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1215268-15-7

2. 1402150-30-4

3. 2-(((3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl)oxy)ethanol Ethanedioate

4. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol Oxa

5. 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol;oxalic Acid

6. 2-[[(3as,4r,6s,6ar)-4-aminotetrahydro-2,2-dimethyl-3ah-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol Oxa

7. Schembl2131991

8. Dtxsid90736785

9. Cs-m1860

10. Akos016011297

11. Ac-27492

12. Cs-14365

13. A891592

14. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol Oxalate(1:x)

15. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanoloxalate

16. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanoloxalate(1:x)

17. 2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-4h-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethan-1-ol Oxalate

18. Oxalic Acid--2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-2h,3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol (1/1)

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₁NO₈
Molecular Weight	307.30 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	307.12671663 g/mol
Monoisotopic Mass	307.12671663 g/mol
Topological Polar Surface Area	149 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

CAS-376608-71-8

End Use API

Ticagrelor

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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