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BIX-01338 hydrate 5mg

CAT: 0628-A21812-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A21812-5Size:5 mg
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CAS Number
1228184-65-3

Chemical Information

BIX-01338 hydrate
CAS Number1228184-65-3
PubChem CID71311908
IUPAC Name1-[2-[4-(4-methoxybenzoyl)oxyphenyl]ethyl]-2-[[4-(trifluoromethyl)benzoyl]amino]benzimidazole-5-carboxylic acid;hydrate
Molecular FormulaC32H26F3N3O7
Molecular Weight621.6
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity990
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCN3C4=C(C=C(C=C4)C(=O)O)N=C3NC(=O)C5=CC=C(C=C5)C(F)(F)F.O
InChI
InChI=1S/C32H24F3N3O6.H2O/c1-43-24-13-6-21(7-14-24)30(42)44-25-11-2-19(3-12-25)16-17-38-27-15-8-22(29(40)41)18-26(27)36-31(38)37-28(39)20-4-9-23(10-5-20)32(33,34)35;/h2-15,18H,16-17H2,1H3,(H,40,41)(H,36,37,39);1H2
InChIKey
LLTPCGBKXOESTJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BIX-01338 hydrate
CAS: 1228184-65-3
CID: 71311908
Formula: C32H26F3N3O7
MW: 621.6
Interactive 3D Structure
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View on PubChemRaw 3D data

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Alternative Products

CatalogName
HY-12991A-01BIX-01338 (hydrate)
MBS5766189BIX-01338 hydrate
HY-10587ABIX-01294 (hydrochloride hydrate)
573453BIX 01294 trihydrochloride hydrate
ALX-270-473-M002BIX 01294 . trihydrochloride . hydrate
217720Protein Methyltransferase Inhibitor II, BIX-01338 (1- (2- (4- (4-Methoxybenzoyloxy) phenyl) ethyl) -2- (4-trifluoromethylbenzoylamino) -1H-benzoimidazole-5-carboxylic Acid, Hydrate, 1- (4- (4-methoxybenzoyloxy) phenethyl) -2- (4- (trifluoromethyl) benzamido) -1H-benzo[d]imidazole-5-carboxylic Acid, Hydrate) discontinued
TRC-B591768-100MGBIX
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