Name: Name:rac-(2R,4R)-8,9-diazatricyclo[4.3.0.0,2,4]nona-1(6),7-diene-7-carboxylic acid, cis
Brand: Angene
SKU: AG01EKUZ
Rating: 90 (10 reviews)

rac-(2R,4R)-8,9-diazatricyclo[4.3.0.0,2,4]nona-1(6),7-diene-7-carboxylic acid, cis

CAS No.:

1268882-43-4

Catalog Number:

AG01EKUZ

Molecular Formula:

C8H8N2O2

Molecular Weight:

164.1613

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Product Description

Catalog Number:

AG01EKUZ

Chemical Name:

rac-(2R,4R)-8,9-diazatricyclo[4.3.0.0,2,4]nona-1(6),7-diene-7-carboxylic acid, cis

CAS Number:

1268882-43-4

Molecular Formula:

C8H8N2O2

Molecular Weight:

164.1613

MDL Number:

MFCD27991272

IUPAC Name:

(2R,4R)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid

InChI:

InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1

InChI Key:

CUTZNERBKDMLAP-QWWZWVQMSA-N

SMILES:

OC(=O)c1n[nH]c2c1C[C@@H]1[C@H]2C1

UNII:

62N05GRI0P

Properties

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

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Isotope Atom Count:

Molecular Weight:

164.164g/mol

Monoisotopic Mass:

164.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6

Literature

Title	Journal
Niacin lipid efficacy is independent of both the niacin receptor GPR109A and free fatty acid suppression.	Science translational medicine 20120822
(1aR,5aR)1a,3,5,5a-Tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic acid (MK-1903): a potent GPR109a agonist that lowers free fatty acids in humans.	Journal of medicinal chemistry 20120426