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MRT-83

CAT: 1410-M26307-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M26307-05Size:25 mg
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Description
MRT-83 is a potent Smo antagonist.
CAS Number
1263131-92-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
538.604
Molecular Formula
C31H30N4O5
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

3,4,5-Trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide
CAS Number1263131-92-5
PubChem CID136210511
IUPAC Name3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide
Molecular FormulaC31H30N4O5
Molecular Weight538.6
XLogP5.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity841
SMILES
CC1=C(C=C(C=C1)N=C(N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C31H30N4O5/c1-19-10-15-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-13-11-21(12-14-22)20-8-6-5-7-9-20/h5-18H,1-4H3,(H,34,36)(H3,32,33,35,37)
InChIKey
BKTMNLKJWHVZRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4,5-Trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide
CAS: 1263131-92-5
CID: 136210511
Formula: C31H30N4O5
MW: 538.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.6
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass538.22162007
Monoisotopic Mass538.22162007
Topological Polar Surface Area124 Ų
Heavy Atom Count40
Formal Charge0
Complexity841
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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