(S)-(1-(Chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indol-3-yl)(5,6,7-trimethoxy-1H-indol-2-yl)methanone, 98% 97%ee

cas: 157922-77-5 — see every product listed under this CAS number, including other names

(S)-(1-(Chloromethyl)-5-hydroxy-1,2-dihydro-3H-benzo[e]indol-3-yl)(5,6,7-trimethoxy-1H-indol-2-yl)methanone, 98% 97%ee (CAS 157922-77-5) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 250mg. Offered by: BLDpharm.

• 2D
• 3D

[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone (CAS 157922-77-5) is a chemical compound with the molecular formula C25H23ClN2O5 and a molecular weight of 466.9 g/mol. IUPAC name: [(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone. InChIKey: NRHDGIYFJJUFKN-CQSZACIVSA-N.

Identity

Molecular formula	C25H23ClN2O5
Molecular weight	466.9 g/mol
IUPAC name	[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
InChIKey	NRHDGIYFJJUFKN-CQSZACIVSA-N
SMILES	COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC

Computed by PubChem (NCBI)

Synonyms: Duocarmycin TM, CBI-TMI, Duocarmycin TM?, orb1309731

Isomers (same molecular formula)

[9-(2,4-dicarboxyphenyl)-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium chloride C₂₅H₂₃ClN₂O₅