CAS Registry Number®
625115-55-1
CAS Name
Riociguat
Molecular Formula
C20H19FN8O2
Molecular Mass
422.42
Compound Properties
-
Melting Point (1)
257-259 °C
Source(s)
- (1) Nerkararyan, Kristine; Pharma Chemica, (2018), 10(6), 62-66, CAplus
Other Names and Identifiers
InChI
InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
InChIKey
InChIKey=WXXSNCNJFUAIDG-UHFFFAOYSA-N
SMILES
C(N1N=C(C=2C1=NC=CC2)C=3N=C(N)C(N(C(OC)=O)C)=C(N)N3)C4=C(F)C=CC=C4
Canonical SMILES
O=C(OC)N(C=1C(=NC(=NC1N)C2=NN(C=3N=CC=CC23)CC=4C=CC=CC4F)N)C
Other Names for this Substance
- Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-methyl-, methyl ester
- Carbamic acid, [4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]methyl-, methyl ester
- Riociguat
- BAY 632521
- BAY 63-2521
- Methyl [4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]methylcarbamate
- Adempas
- Methyl N-[4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-(methyl)carbamate
Deleted or Replaced CAS Registry Numbers
911138-23-3