Mirodenafil-d7 Dihydrochloride

Analyte Name

Mirodenafil-d7 Dihydrochloride

CAS Number

2974827-38-6

Molecular Formula

C26 H32 D7 Cl2 N5 O5 S

Molecular Weight

611.63

Accurate Mass

610.25

SMILES

O=C(N1)C(N(CC)C=C2CCC)=C2N=C1C3=C(OC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C=CC(S(N4CCN(CCO)CC4)(=O)=O)=C3.Cl.Cl

InChI

InChI=1S/C26H37N5O5S.2ClH/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32;;/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33);2*1H/i2D3,5D2,16D2;;

IUPAC

5-ethyl-2-(5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)-2-(propoxy-d7)phenyl)-7-propyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one dihydrochloride

Alternate CAS Number

1329651-11-7 (free base)

Unlabelled CAS Number

862189-96-6 (diHCl salt)

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat