CAS 1531-23-3

Chemistry, 2 End Use API, 8 Related Intermediates

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Also known as: 1531-23-3, 3-methoxymorphinan, 3-methoxymorphinan, (+)-, Chembl1638, Sh6r750lwz, (1s,9s,10s)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Molecular Formula

C₁₇H₂₃NO

Molecular Weight

257.37 g/mol

InChI Key

ILNSWVUXAPSPEH-PVAVHDDUSA-N

FDA UNII

SH6R750LWZ

1 2D Structure

CAS 1531-23-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

2.1.2 InChI

InChI=1S/C17H23NO/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13/h5-6,11,14,16,18H,2-4,7-10H2,1H3/t14-,16+,17+/m1/s1

2.1.3 InChI Key

ILNSWVUXAPSPEH-PVAVHDDUSA-N

2.1.4 Canonical SMILES

COC1=CC2=C(CC3C4C2(CCCC4)CCN3)C=C1

2.1.5 Isomeric SMILES

COC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3)C=C1

2.2 Other Identifiers

2.2.1 UNII

SH6R750LWZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-methoxymorphinan

2. 3-methoxymorphinan Hydrobromide, (9alpha,13alpha,14alpha)-isomer

3. 3-methoxymorphinan Hydrochloride

4. 3-methoxymorphinan Hydrochloride, (14alpha)-(+-)-isomer

5. 3-methoxymorphinan Hydrochloride, (14alpha)-isomer

6. 3-methoxymorphinan, (+-)-isomer

7. 3-methoxymorphinan, (14alpha)-(+-)-isomer

8. 3-methoxymorphinan, (14alpha)-isomer

9. 3-methoxymorphinan, (9alpha,13alpha,14alpha)-isomer

10. Lk-3 Compound

2.3.2 Depositor-Supplied Synonyms

1. 1531-23-3

2. 3-methoxymorphinan

3. 3-methoxymorphinan, (+)-

4. Chembl1638

5. Sh6r750lwz

6. (1s,9s,10s)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

7. Unii-sh6r750lwz

8. Lopac-m-187

9. N-nordextromethorphan

10. Ent-3-methoxymorphinan

11. Morphinan, 3-methoxy-, (9alpha,13alpha,14alpha)-

12. Schembl10064343

13. Zinc1611775

14. Bdbm50497682

15. Ncgc00015637-01

16. Q27289210

17. 3-methoxy-9.alpha.,13.alpha.,14.alpha.-morphinan

18. Dextromethorphan Hydrobromide Impurity A [ep Impurity]

19. Morphinan, 3-methoxy-, (9.alpha.,13.alpha.,14.alpha.)-

20. (1s,9s,10s)-4-methoxy-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-triene

2.4 Create Date

2006-05-30

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₃NO
Molecular Weight	257.37 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	257.177964357 g/mol
Monoisotopic Mass	257.177964357 g/mol
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	344
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

3-methoxymorphinan is a known human metabolite of dextromethorphan.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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Dextromethorphan Hydrobromide

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CAS Number

1531-23-3

Intermediate Name

Hy-Gro Chemicals Pharmtek Pvt. Ltd. (Hy-Gro) is a fast growing pharmaceutical company engaged in the manu...

Hy-Gro Chemicals Pharmtek Pvt. Ltd. (Hy-Gro) is a fast growing pharmaceutical company engaged in the manufacture of Active Pharmaceutical Ingredients (APIs), Advanced Intermediates, specialized Fine Chemicals and Finished Dosages. Hy-Gro is led by a team of professional and technically proficient individuals enabling a sustainable growth trajectory for the company. We currently have 3 GMP compliant manufacturing facilities located in India. Hy-Gro was established in early 1970's as a trading company and ventured into the manufacture of bulk drugs in an associate company in 1980.

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CAS Number

1531-23-3

Intermediate Name

3-Methoxy-morphinan

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Zhejiang Bamboo Pharmaceuticals is a new, innovative, green, high-grade pharmaceutical intermediate, API ...

Zhejiang Bamboo Pharmaceuticals is a new, innovative, green, high-grade pharmaceutical intermediate, API and oral solid formulation pharmaceutical manufacturer which was established in 2020. The company is positioned as a modern and regulatory pharmaceutical company with API and formulation drug. The formulation drug are mainly sold to the domestic market, and the goal is to become one of the largest supplier of Chinese "4 + 7" volume procurement in China.

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