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Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

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Chemistry

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Also known as: 53844-46-5, (+/-)-isomyosmine, (+/-)-iso myosmine, Isomyosamine, (+/-)-iso myosmine, technical grade, Isomyosamine, (+/-)-

Molecular Formula

C₉H₁₀N₂

Molecular Weight

146.19 g/mol

InChI Key

GXTVPHUMJMZDSF-UHFFFAOYSA-N

FDA UNII

3A50Y1J4LP

1 2D Structure

Isomyosamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(3,4-dihydro-2H-pyrrol-2-yl)pyridine

2.1.2 InChI

InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5-7,9H,2,4H2

2.1.3 InChI Key

GXTVPHUMJMZDSF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(N=C1)C2=CN=CC=C2

2.2 Other Identifiers

2.2.1 UNII

3A50Y1J4LP

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Isomyosmine

2. Mymd-1

2.3.2 Depositor-Supplied Synonyms

1. 53844-46-5

2. (+/-)-isomyosmine

3. (+/-)-iso Myosmine

4. Isomyosamine

5. (+/-)-iso Myosmine, Technical Grade

6. Isomyosamine, (+/-)-

7. 3a50y1j4lp

8. (/-)-isomyosmine

9. Unii-3a50y1j4lp

10. 3-(1-pyrroline-5-yl)pyridine

11. Schembl18003636

12. Dtxsid80461155

13. Akos030254608

14. Ft-0670475

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀N₂
Molecular Weight	146.19 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	146.084398327 g/mol
Monoisotopic Mass	146.084398327 g/mol
Topological Polar Surface Area	25.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1