Beijing Zhongshuo Pharmaceutical

CAS 144282-37-1

Chemistry, 1 End Use API, 5 Related Intermediates

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Also known as: 144282-37-1, Carbamic acid, [(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester, Tert-butyl n-[(7s)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate, (s)-tert-butyl(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate, Carbamicacid,n-[(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-,1,1-dimethylethylester, Schembl9245843

Molecular Formula

C₁₈H₂₆N₂O₂

Molecular Weight

302.4 g/mol

InChI Key

UCBLMUMETZZNIZ-OAHLLOKOSA-N

1 2D Structure

CAS 144282-37-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate

2.1.2 InChI

InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-15-12-20(13-18(15)9-10-18)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m1/s1

2.1.3 InChI Key

UCBLMUMETZZNIZ-OAHLLOKOSA-N

2.1.4 Canonical SMILES

CC(C)(C)OC(=O)NC1CN(CC12CC2)CC3=CC=CC=C3

2.1.5 Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CN(CC12CC2)CC3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 144282-37-1

2. Carbamic Acid, [(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl Ester

3. Tert-butyl N-[(7s)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate

4. (s)-tert-butyl(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate

5. Carbamicacid,n-[(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-,1,1-dimethylethylester

6. Schembl9245843

7. Amsp00021

8. Dtxsid30443860

9. Bcp12388

10. Mfcd17214772

11. Zinc34401723

12. Akos005762855

13. Akos015899931

14. Am85587

15. Ds-3734

16. Ac-27606

17. Cs-0042464

18. Y10155

19. A852300

20. J-502528

21. Tert-butyl (s)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate

22. Carbamic Acid, N-[(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₆N₂O₂
Molecular Weight	302.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	302.199428076 g/mol
Monoisotopic Mass	302.199428076 g/mol
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

144282-37-1

Intermediate Name

(S)-Tert-Butyl (5-benzyl-5-azaspiro...

About the Company

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....

Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001. It came from a subsidiary company of China National Pharmaceutical Industry Company affiliated to China National Pharmaceutical Group (CNPIC). BJ Zhongshuo runs a medicine R&D centre in Beijing Economic-Technological Development Area with over 20 experienced specialists and a batch of advanced equipment for experiment and detection. The centre deals with the R&D for innovated drugs and Generic drugs as well as the optimization and improvement on exiting products. The R&D centre is now able to deal with 10-15 new products per year.

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