Chemical Compound

Demethyl-RSL3

CAS Registry Number2375354-13-3

Primary record

CAS: 2375354-13-3
PubChem CID: 139446441
SMILES: COC(=O)[C@H]1CC2=C([C@@H](N1C(=O)CCl)C3=CC=C(C=C3)C(=O)O)NC4=CC=CC=C24
Molecular Formula: C22H19ClN2O5
Molecular Weight: 426.856
Exact Mass: 426.0982
InChI: InChI=1S/C22H19ClN2O5/c1-30-22(29)17-10-15-14-4-2-3-5-16(14)24-19(15)20(25(17)18(26)11-23)12-6-8-13(9-7-12)21(27)28/h2-9,17,20,24H,10-11H2,1H3,(H,27,28)/t17-,20+/m1/s1
InChIKey: CBSPLCVLBPVVHP-XLIONFOSSA-N
LogP: 3.1206
TPSA: 99.7

Names and synonyms

Demethyl-RSL3
orb2664482
SCHEMBL21309404
SCHEMBL31119858
EX-A11907
HY-135832
2375354-13-3
4-((1S,3R)-2-(2-Chloroacetyl)-3-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzoic acid