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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: Suvn-911 free base, Ropanicant [inn], Ropanicant, (+)-, S3vp91c4jo, 2414674-70-5, Unii-s3vp91c4jo

Molecular Formula

C₁₁H₁₃ClN₂O

Molecular Weight

224.68 g/mol

InChI Key

PYSCVJMLJRHJGJ-OYNCUSHFSA-N

FDA UNII

S3VP91C4JO

1 2D Structure

Ropanicant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,3S,5R)-3-[(6-chloropyridin-3-yl)oxymethyl]-2-azabicyclo[3.1.0]hexane

2.1.2 InChI

InChI=1S/C11H13ClN2O/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8/h1-2,5,7-8,10,14H,3-4,6H2/t7-,8-,10+/m0/s1

2.1.3 InChI Key

PYSCVJMLJRHJGJ-OYNCUSHFSA-N

2.2 Other Identifiers

2.2.1 UNII

S3VP91C4JO

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Suvn-911 Free Base

2. Ropanicant [inn]

3. Ropanicant, (+)-

4. S3vp91c4jo

5. 2414674-70-5

6. Unii-s3vp91c4jo

7. (1r,3s,5r)-3-(((6-chloropyridin-3-yl)oxy)methyl)-2-azabicyclo(3.1.0)hexane

8. 2-azabicyclo(3.1.0)hexane, 3-(((6-chloro-3-pyridinyl)oxy)methyl)-, (1r,3s,5r)-

9. Chembl4650579

10. Akos040757731

11. Da-67277

12. Cs-0213570

13. (1r,3s,5r)-3-[(6-chloropyridin-3-yl)oxymethyl]-2-azabicyclo[3.1.0]hexane

2.4 Create Date

2020-05-07

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃ClN₂O
Molecular Weight	224.68 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	34.2
Heavy Atom Count	15
Formal Charge	0
Complexity	239
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