Analyte Name

Relcovaptan-d6

Molecular Formula

C28H21D6Cl2N3O7S

Molecular Weight

626.54

Accurate Mass

625.13

SMILES

ClC1=CC2=C(C=C1)N(S(C3=CC=C(C(OC([2H])([2H])[2H])=C3)OC([2H])([2H])[2H])(=O)=O)[C@@H](C(N4[C@@H](CCC4)C(N)=O)=O)[C@]2(C5=CC=CC=C5Cl)O

InChI

InChI=1S/C28H27Cl2N3O7S/c1-39-23-12-10-17(15-24(23)40-2)41(37,38)33-21-11-9-16(29)14-19(21)28(36,18-6-3-4-7-20(18)30)25(33)27(35)32-13-5-8-22(32)26(31)34/h3-4,6-7,9-12,14-15,22,25,36H,5,8,13H2,1-2H3,(H2,31,34)/t22-,25-,28+/m0/s1/i1D3,2D3

IUPAC

(S)-1-((2R,3S)-1-((3,4-bis(methoxy-d3)phenyl)sulfonyl)-5-chloro-3-(2-chlorophenyl)-3-hydroxyindoline-2-carbonyl)pyrrolidine-2-carboxamide

Unlabelled CAS Number

150375-75-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat