Cemdomespib

CAT: 0013-GTR19185922-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19185922-01Size:25 mg

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Description

Cemdomespib

CAS Number

1450642-92-8

Field of Research

Metabolism Research, Signal Transduction

Smiles

C (CNC (C) =O) C1=C (C=C (O[C@H]2[C@H] (O) [C@H] (O) [C@@H] (OC) C (C) (C) O2) C=C1) C3=CC (F) =CC=C3

Molecular Formula

C24H30FNO6

Molecular Weight

447.5

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Cemdomespib

Cemdomespib is under investigation in clinical trial NCT05895552 (A Phase 2 Study of RTA 901 in Patients With Diabetic Peripheral Neuropathic Pain (CYPRESS)).

CAS Number	1450642-92-8
PubChem CID	60148493
IUPAC Name	N-[2-[4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)phenyl]ethyl]acetamide
Molecular Formula	C24H30FNO6
Molecular Weight	447.5
XLogP	2.3
Topological Polar Surface Area	97.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	619

SMILES

CC(=O)NCCC1=C(C=C(C=C1)O[C@H]2[C@@H]([C@@H]([C@H](C(O2)(C)C)OC)O)O)C3=CC(=CC=C3)F

InChI

InChI=1S/C24H30FNO6/c1-14(27)26-11-10-15-8-9-18(13-19(15)16-6-5-7-17(25)12-16)31-23-21(29)20(28)22(30-4)24(2,3)32-23/h5-9,12-13,20-23,28-29H,10-11H2,1-4H3,(H,26,27)/t20-,21+,22+,23+/m0/s1

InChIKey

PDBWOHBMJQOBHL-WBADGQHESA-N

Chemical Structure

2D Structure

CAS: 1450642-92-8

CID: 60148493

Formula: C24H30FNO6

MW: 447.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	447.5
XLogP3	2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	447.20571584
Monoisotopic Mass	447.20571584
Topological Polar Surface Area	97.3 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	619
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T62670-01	Cemdomespib

Cemdomespib

Chemical Information

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