Name: Avacopan-[d9]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-014997

CAS: 2316781-77-6

Molecular Formula: C33H26D9F4N3O2

Molecular Weight: 590.70

Chemical Structure

Description	Avacopan-[d9] is a labelled form of Avacopan. Avacopan is a complement 5a receptor antagonist and a cytochrome P450 3A4 inhibitor used to treat anti-neutrophil cytoplasmic autoantibody-associated vasculitis.
Synonyms	(2R,3S)-2-(4-((cyclopentyl-2,2,3,3,4,4,5,5-d8)amino)phenyl)-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-(trifluoromethyl)phenyl)piperidine-3-carboxamide; Avacopan D8; (2R,3S)-2-[4-(Cyclopentylamino-d8)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-piperidinecarboxamide; CCX 168-d8
IUPAC Name	(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-[4-[(1,2,2,3,3,4,4,5,5-nonadeuteriocyclopentyl)amino]phenyl]piperidine-3-carboxamide
Related CAS	1346623-17-3 (unlabelled)
Canonical SMILES	[2H]C1(C(C(C(C1([2H])[2H])([2H])NC2=CC=C(C=C2)[C@H]3[C@H](CCCN3C(=O)C4=C(C=CC=C4F)C)C(=O)NC5=CC(=C(C=C5)C)C(F)(F)F)([2H])[2H])([2H])[2H])[2H]
InChI	InChI=1S/C33H35F4N3O2/c1-20-12-15-25(19-27(20)33(35,36)37)39-31(41)26-10-6-18-40(32(42)29-21(2)7-5-11-28(29)34)30(26)22-13-16-24(17-14-22)38-23-8-3-4-9-23/h5,7,11-17,19,23,26,30,38H,3-4,6,8-10,18H2,1-2H3,(H,39,41)/t26-,30-/m0/s1/i3D2,4D2,8D2,9D2,23D
InChI Key	PUKBOVABABRILL-IYBYBCJHSA-N
Purity	>95%
Storage	Store at 2-8 °C