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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18N2O4S
Molecular Weight 394.444
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-METHYLTHIOCAMPTOTHECIN

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C(SC)C5=CC=CC=C5N=C34)C2=O

InChI

InChIKey=KXXNHCDDGUWEQK-NRFANRHFSA-N
InChI=1S/C21H18N2O4S/c1-3-21(26)14-8-16-17-12(9-23(16)19(24)13(14)10-27-20(21)25)18(28-2)11-6-4-5-7-15(11)22-17/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H18N2O4S
Molecular Weight 394.444
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 Sat Dec 16 08:35:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:35:31 GMT 2023
Record UNII
5YI97X5JCY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-METHYLTHIOCAMPTOTHECIN
Common Name English
BNP-1100
Common Name English
1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4-ETHYL-4-HYDROXY-11-(METHYLTHIO)-, (4S)-
Systematic Name English
1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4-ETHYL-4-HYDROXY-11-(METHYLTHIO)-, (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9952521
Created by admin on Sat Dec 16 08:35:31 GMT 2023 , Edited by admin on Sat Dec 16 08:35:31 GMT 2023
PRIMARY
FDA UNII
5YI97X5JCY
Created by admin on Sat Dec 16 08:35:31 GMT 2023 , Edited by admin on Sat Dec 16 08:35:31 GMT 2023
PRIMARY
CAS
203923-75-5
Created by admin on Sat Dec 16 08:35:31 GMT 2023 , Edited by admin on Sat Dec 16 08:35:31 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY