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CAS 1295539-30-8

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Also known as: 1295539-30-8, (r)-((2r,5s)-5-( 4-aminobenzyl)pyrrolidine-2-yl) (phenyl) methanol, Vibegron impurity 8, Starbld0038484, F2lj64s8vq, Chembl1684586

Molecular Formula

C₁₈H₂₂N₂O

Molecular Weight

282.4 g/mol

InChI Key

CBVGYKIYIAYXTO-RCCFBDPRSA-N

FDA UNII

F2LJ64S8VQ

1 2D Structure

CAS 1295539-30-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(R)-[(2R,5S)-5-[(4-aminophenyl)methyl]pyrrolidin-2-yl]-phenylmethanol

2.1.2 InChI

InChI=1S/C18H22N2O/c19-15-8-6-13(7-9-15)12-16-10-11-17(20-16)18(21)14-4-2-1-3-5-14/h1-9,16-18,20-21H,10-12,19H2/t16-,17+,18+/m0/s1

2.1.3 InChI Key

CBVGYKIYIAYXTO-RCCFBDPRSA-N

2.2 Other Identifiers

2.2.1 UNII

F2LJ64S8VQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1295539-30-8

2. (r)-((2r,5s)-5-( 4-aminobenzyl)pyrrolidine-2-yl) (phenyl) Methanol

3. Vibegron Impurity 8

4. Starbld0038484

5. F2lj64s8vq

6. Chembl1684586

7. Schembl14907588

8. H62682

9. (alphar,2r,5s)-5-[(4-aminophenyl)methyl]-alpha-phenyl-2-pyrrolidinemethanol

10. 2-pyrrolidinemethanol, 5-[(4-aminophenyl)methyl]-alpha-phenyl-, (alphar,2r,5s)-

11. 5-[(4-aminophenyl)methyl]-alpha-phenyl-2-pyrrolidinemethanol, (alphar,2r,5s)-

2.4 Create Date

2011-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₂N₂O
Molecular Weight	282.4 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	58.3
Heavy Atom Count	21
Formal Charge	0
Complexity	308
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

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