Vanzacaftor hemicalcium

Vanzacaftor Hemicalcium is a CFTR corrector used for cystic fibrosis.

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Catalog Number API0233640
Alternative Name(s) Vanzacaftor hemicalcium; SXG3YFW4BW; Vanzacaftor calcium (USAN)
Research Area API
Molecular Formula C64H76CaN14O8S2
CAS# 2374124-50-0
Inchi InChI=1S/2C32H39N7O4S.Ca/c2*1-30(2)19-21-5-4-16-33-24-6-3-7-27(34-24)44(41,42)37-29(40)22-8-9-25(35-28(22)38(30)20-21)39-17-10-26(36-39)43-18-11-23-31(12-13-31)32(23)14-15-32;/h2*3,6-10,17,21,23H,4-5,11-16,18-20H2,1-2H3,(H,33,34)(H,37,40);/q;;+2/p-2/t2*21-;/m00./s1
Inchi Key DRMSNBPCCNFTPS-HRQBZJEISA-L
SMILES CC1(N2C3=C(/C(=N/S(=O)(=O)C4=CC=CC(=N4)NCCC[C@@H](C1)C2)/[O-])C=CC(=N3)N5N=C(C=C5)OCCC6C7(C68CC8)CC7)C.CC1(N2C3=C(/C(=N/S(=O)(=O)C4=CC=CC(=N4)NCCC[C@@H](C1)C2)/[O-])C=CC(=N3)N5N=C(C=C5)OCCC6C7(C68CC8)CC7)C.[Ca+2]
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