Obatoclax mesylate
(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid
Molecular Identity
Obatoclax mesylate
(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid
PubChem CID: 16681698
2D Structure
Properties
C21H23N3O4S
Molecular Formula
413.50
Molecular Weight
g/mol
413.1409
Exact Mass
Da
112
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
869
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C.CS(=O)(=O)OIsomeric SMILES
SMILES: CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C.CS(=O)(=O)OSynonyms(20)
Obatoclax mesylate803712-79-0Obatoclax mesilateObatoclax (Mesylate)Obatoclax mesylate (GX15-070)GX-15-070MS(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acidGX15-070MSObatoclax mesylate [USAN]CS-0133MFCD18074508(Z)-2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole methanesulfonateCHEMBL4777255orb1223966CHEMBL2107358
Data from PubChem (NCBI)
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