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RMC-6236

CAT: 0244-E1597-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0244-E1597-5mgSize:5 mg
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CAS Number
2765081-21-6

Chemical Information

Daraxonrasib

daraxonrasib is under investigation in clinical trial NCT06881784 (Study of Daraxonrasib (RMC-6236) in Previously Treated Patients With RAS Mutated NSCLC (RASolve 301)).

CAS Number2765081-21-6
PubChem CID164726578
IUPAC Nametrans-(1S,2S)-N-[(7S,13S)-21-ethyl-20-[2-[(1S)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetrazapentacyclo[17.5.2.12,5.19,13.022,26]octacosa-1(25),2,5(28),19,22(26),23-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide
Molecular FormulaC44H58N8O5S
Molecular Weight811.0
XLogP5.1
Topological Polar Surface Area162
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count58
Formal Charge0
Complexity1470
SMILES
CCN1C2=C3C=C(C=C2)C4=CSC(=N4)C[C@@H](C(=O)N5CCC[C@H](N5)C(=O)OCC(CC3=C1C6=C(N=CC(=C6)N7CCN(CC7)C)[C@H](C)OC)(C)C)NC(=O)[C@H]8C[C@@H]8C
InChI
InChI=1S/C44H58N8O5S/c1-8-51-37-12-11-28-19-31(37)33(40(51)32-20-29(23-45-39(32)27(3)56-7)50-16-14-49(6)15-17-50)22-44(4,5)25-57-43(55)34-10-9-13-52(48-34)42(54)35(21-38-46-36(28)24-58-38)47-41(53)30-18-26(30)2/h11-12,19-20,23-24,26-27,30,34-35,48H,8-10,13-18,21-22,25H2,1-7H3,(H,47,53)/t26-,27-,30-,34-,35-/m0/s1
InChIKey
FVICRBSEYSHKFY-JYQNNKODSA-N
Chemical Structure
2D Structure
2D structure of Daraxonrasib
CAS: 2765081-21-6
CID: 164726578
Formula: C44H58N8O5S
MW: 811.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight811.0
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass810.42508815
Monoisotopic Mass810.42508815
Topological Polar Surface Area162 Ų
Heavy Atom Count58
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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