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Chemistry

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Also known as: 85700-55-6, Scopine hcl, Scopine (hydrochloride), 6,7-epoxytropine hydrochloride, (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol hydrochloride, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol hydrochloride
Molecular Formula
C8H14ClNO2
Molecular Weight
191.65  g/mol
InChI Key
BBBRAOXIMQHVCR-QYRWGYAXSA-N

Scopine Hydrochloride
1 2D Structure

Scopine Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride
2.1.2 InChI
InChI=1S/C8H13NO2.ClH/c1-9-5-2-4(10)3-6(9)8-7(5)11-8;/h4-8,10H,2-3H2,1H3;1H/t4?,5-,6+,7-,8+;
2.1.3 InChI Key
BBBRAOXIMQHVCR-QYRWGYAXSA-N
2.1.4 Canonical SMILES
CN1C2CC(CC1C3C2O3)O.Cl
2.1.5 Isomeric SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 85700-55-6

2. Scopine Hcl

3. Scopine (hydrochloride)

4. 6,7-epoxytropine Hydrochloride

5. (1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol Hydrochloride

6. (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02.4]nonan-7-ol Hydrochloride

7. Rel-(1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol Hydrochloride

8. (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02.4)nonan-7-ol Hydrochloride

9. Einecs 288-237-8

10. Mls006011115

11. Hy-b0459a

12. Act04778

13. Mfcd00058097

14. Akos006275399

15. As-35174

16. Smr004702896

17. Sw219096-2

18. 700s556

19. A863466

20. Q-201702

21. (1s,2s,4r,5r)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol;hydrochloride

22. Rel-(1r,2r,4s,5s,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-olhydrochloride

2.2.2 Other Synonyms

1. 498-45-3

2. Scopine

3. Pseudoscopine

4. Scopine Hydrobromide

2.3 Create Date
2008-02-29
3 Chemical and Physical Properties
Molecular Weight 191.65 g/mol
Molecular Formula C8H14ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass191.0713064 g/mol
Monoisotopic Mass191.0713064 g/mol
Topological Polar Surface Area36 Ų
Heavy Atom Count12
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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LTD","supplierCountry":"CHINA","foreign_port":"BEIJING","customer":"MELODY HEALTHCARE PRIVATE LIMITED","customerCountry":"INDIA","quantity":"1.00","actualQuantity":"1","unit":"KGS","unitRateFc":"53000","totalValueFC":"53203.4","currency":"USD","unitRateINR":"4377800","date":"11-May-2023","totalValueINR":"4377800","totalValueInUsd":"53203.4","indian_port":"BOMBAY AIR","hs_no":"29420090","bill_no":"0","productDescription":"API","marketType":"REGULATED MARKET","country":"China","selfForZScoreResived":"Pharma Grade","supplierPort":"BEIJING","supplierAddress":"","customerAddress":"FLAT NO.1003,10TH FLR,UNIQUE TOWER S.V.ROAD,NR.KAMATH CLUB,GOREGAON"}]
09-Jan-2021
22-Jul-2024
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