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1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE]

Compound with spectra: 1 NMR, and 1 MS (GC)

1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE]
SpectraBase Compound ID FLh4nSVTfRD
InChI InChI=1S/C31H32N4O8/c1-16-8-22-28(36)32-20-12-26(24(40-3)10-18(20)30(38)34(22)14-16)42-6-5-7-43-27-13-21-19(11-25(27)41-4)31(39)35-15-17(2)9-23(35)29(37)33-21/h10-13,22-23H,1-2,5-9,14-15H2,3-4H3,(H,32,36)(H,33,37)/t22-,23-/m0/s1
InChIKey OECLPMNVJYLQFN-GOTSBHOMSA-N
Mol Weight 588.6 g/mol
Molecular Formula C31H32N4O8
Exact Mass 588.222014 g/mol
Enantiomer InChIKey OECLPMNVJYLQFN-DHIUTWEWSA-N

View Spectrum of 1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE]

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F2-44-745-21

View Spectrum of 1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE]

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 1,1'-[[(Propane-1,3-diyl)dioxy]bis[(11aS)-7-methyloxy-2-methylidene-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5,11-dione]
1,3-quinazolinediacetamide, N~1~-(5-chloro-2,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,4-dioxo-N~3~-(2-phenylethyl)-
LIMAZEPINE-A
LIMAZEPINE_A
2,4(1H,3H)-quinazolinedione, 1-[(4-chlorophenyl)methyl]-3-ethyl-6,7-dimethoxy-
2(S),11(R),11a(S)-2,8-DIHYDROXY-7,11-DIMETHOXY-1,2,3,10,11,11a-HEXAHYDRO-5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-5-ONE
[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one, 6-[[(2-chloro-6-fluorophenyl)methyl]thio]-7-[2-(1-cyclohexen-1-yl)ethyl]-
Daphneticin-diacetate
1H-pyrazole-3-acetic acid, 4-[1-[[4,5-dimethoxy-2-(methoxycarbonyl)phenyl]amino]ethylidene]-4,5-dihydro-5-oxo-1-phenyl-, methyl ester, (4Z)-
[1,4]dioxino[2,3-g]quinolin-9(6H)-one, 8-(4-ethoxybenzoyl)-2,3-dihydro-6-[(4-methoxyphenyl)methyl]-
[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one, 6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-7-(2-furanylmethyl)-
Title Journal or Book Year
Design, Synthesis, and Evaluation of a Novel Pyrrolobenzodiazepine DNA-Interactive Agent with Highly Efficient Cross-Linking Ability and Potent Cytotoxicity Journal of Medicinal Chemistry 2001
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