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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30N4O6
Molecular Weight 518.561
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-ETHYL-10-(4-AMINO-1-PIPERIDINO)CARBONYLOXYCAMPTOTHECIN

SMILES

CCC1=C2CN3C(=CC4=C(COC(=O)[C@]4(O)CC)C3=O)C2=NC5=C1C=C(OC(=O)N6CCC(N)CC6)C=C5

InChI

InChIKey=APWFTHDYKJHNEV-NDEPHWFRSA-N
InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H30N4O6
Molecular Weight 518.561
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 Tue Apr 01 21:47:33 GMT 2025
Edited
by admin
on Tue Apr 01 21:47:33 GMT 2025
Record UNII
KG4PRF4VUS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RPR 132595A
Preferred Name English
7-ETHYL-10-(4-AMINO-1-PIPERIDINO)CARBONYLOXYCAMPTOTHECIN
Common Name English
NPC (METABOLITE)
Common Name English
1-PIPERIDINECARBOXYLIC ACID, 4-AMINO-, (4S)-4,11-DIETHYL-3,4,12,14-TETRAHYDRO-4-HYDROXY-3,14-DIOXO-1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-9-YL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
KG4PRF4VUS
Created by admin on Tue Apr 01 21:47:33 GMT 2025 , Edited by admin on Tue Apr 01 21:47:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID50471908
Created by admin on Tue Apr 01 21:47:33 GMT 2025 , Edited by admin on Tue Apr 01 21:47:33 GMT 2025
PRIMARY
CAS
185304-42-1
Created by admin on Tue Apr 01 21:47:33 GMT 2025 , Edited by admin on Tue Apr 01 21:47:33 GMT 2025
PRIMARY
PUBCHEM
11756356
Created by admin on Tue Apr 01 21:47:33 GMT 2025 , Edited by admin on Tue Apr 01 21:47:33 GMT 2025
PRIMARY
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