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Rineterkib hydrochloride 100mg

CAT: 0628-A24133-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A24133-100Size:100 mg
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CAS Number
1715025-34-5

Chemical Information

Rineterkib hydrochloride
CAS Number1715025-34-5
PubChem CID154572843
IUPAC Name4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide;hydrochloride
Molecular FormulaC26H28BrClF3N5O2
Molecular Weight614.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity757
SMILES
CNC[C@H](C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)[C@H]4CC[C@@H]([C@H](C4)F)O)F.Cl
InChI
InChI=1S/C26H27BrF3N5O2.ClH/c1-32-11-21(15-6-16(27)10-17(28)7-15)35-26(37)18-4-2-14(9-19(18)29)24-25(31)33-12-22(34-24)13-3-5-23(36)20(30)8-13;/h2,4,6-7,9-10,12-13,20-21,23,32,36H,3,5,8,11H2,1H3,(H2,31,33)(H,35,37);1H/t13-,20-,21+,23-;/m0./s1
InChIKey
BTUJMQIKTCOSFK-XKNHYIDFSA-N
Chemical Structure
2D Structure
2D structure of Rineterkib hydrochloride
CAS: 1715025-34-5
CID: 154572843
Formula: C26H28BrClF3N5O2
MW: 614.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass613.10670
Monoisotopic Mass613.10670
Topological Polar Surface Area113 Ų
Heavy Atom Count38
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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