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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H34N4O6
Molecular Weight 558.6249
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-DESETHYL IRINOTECAN

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=CC(OC(=O)N6CCC(CC6)N7CCCCC7)=CC5=C4)C2=O

InChI

InChIKey=KUDUHLYXWIVQRQ-HKBQPEDESA-N
InChI=1S/C31H34N4O6/c1-2-31(39)24-16-26-27-20(17-35(26)28(36)23(24)18-40-29(31)37)14-19-15-22(6-7-25(19)32-27)41-30(38)34-12-8-21(9-13-34)33-10-4-3-5-11-33/h6-7,14-16,21,39H,2-5,8-13,17-18H2,1H3/t31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H34N4O6
Molecular Weight 558.6249
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 16:12:17 UTC 2023
Edited
by admin
on Thu Jul 06 16:12:17 UTC 2023
Record UNII
JHM7B5DOV5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-DESETHYL IRINOTECAN
Common Name English
10-(4-(1-PIPERIDINO)-1-PIPERIDINOCARBONYLOXY)CAMPTOTHECIN
Systematic Name English
(4S)-4-ETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-3,14-DIOXO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL (1,4'-BIPIPERIDINE)-1'-CARBOXYLATE
Systematic Name English
7-DESETHYL IRINOTECAN [USP IMPURITY]
Common Name English
(1,4'-BIPIPERIDINE)-1'-CARBOXYLIC ACID, 4-ETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-3,14-DIOXO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL ESTER, (S)-
Systematic Name English
Code System Code Type Description
CAS
103816-16-6
Created by admin on Thu Jul 06 16:12:17 UTC 2023 , Edited by admin on Thu Jul 06 16:12:17 UTC 2023
PRIMARY
FDA UNII
JHM7B5DOV5
Created by admin on Thu Jul 06 16:12:17 UTC 2023 , Edited by admin on Thu Jul 06 16:12:17 UTC 2023
PRIMARY
PUBCHEM
13711982
Created by admin on Thu Jul 06 16:12:17 UTC 2023 , Edited by admin on Thu Jul 06 16:12:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP