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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21N3O5
Molecular Weight 407.4192
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DESMETHYL TOPOTECAN

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=CC(O)=C(CNC)C5=C4)C2=O

InChI

InChIKey=ZWUJOGCYOWLZFL-QFIPXVFZSA-N
InChI=1S/C22H21N3O5/c1-3-22(29)15-7-17-19-11(9-25(17)20(27)14(15)10-30-21(22)28)6-12-13(8-23-2)18(26)5-4-16(12)24-19/h4-7,23,26,29H,3,8-10H2,1-2H3/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H21N3O5
Molecular Weight 407.4192
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Tue Oct 22 14:05:42 UTC 2019
Edited
by admin
on Tue Oct 22 14:05:42 UTC 2019
Record UNII
1H911D604G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DESMETHYL TOPOTECAN
Common Name English
1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4-ETHYL-4,9-DIHYDROXY-10-((METHYLAMINO)METHYL)-, (4S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
190710-79-3
Created by admin on Tue Oct 22 14:05:42 UTC 2019 , Edited by admin on Tue Oct 22 14:05:42 UTC 2019
PRIMARY
CAS
190710-79-3
Created by admin on Tue Oct 22 14:05:42 UTC 2019 , Edited by admin on Tue Oct 22 14:05:42 UTC 2019
PRIMARY
PUBCHEM
9931216
Created by admin on Tue Oct 22 14:05:42 UTC 2019 , Edited by admin on Tue Oct 22 14:05:42 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Metabolite deteced in plasma and urine were relatively low
FECAL; PLASMA; URINE