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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H27N3O4
Molecular Weight 433.4996
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BELOTECAN

SMILES

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

InChI

InChIKey=LNHWXBUNXOXMRL-VWLOTQADSA-N
InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1

HIDE SMILES / InChI
Molecular Formula C25H27N3O4
Molecular Weight 433.4996
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:03:05 UTC 2023
Edited
by admin
on Fri Dec 15 16:03:05 UTC 2023
Record UNII
27Z82M2G1N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BELOTECAN
INN   MART.   MI   WHO-DD  
INN  
Official Name English
1H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H,12H)-DIONE, 4-ETHYL-4-HYDROXY-11-(2-((1-METHYLETHYL)AMINO)ETHYL)-, (4S)-
Systematic Name English
BELOTECAN [MART.]
Common Name English
BELOTECAN [MI]
Common Name English
(4S)-4-ETHYL-4-HYDROXY-11-(2-((1-METHYLETHYL)AMINO)ETHYL)-1,12-DIHYDRO-14H-PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLINE-3,14(4H)-DIONE
Systematic Name English
Belotecan [WHO-DD]
Common Name English
belotecan [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2843
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
Code System Code Type Description
SMS_ID
100000124414
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
NCI_THESAURUS
C73305
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
CAS
256411-32-2
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL2111084
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
DRUG BANK
DB12459
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
EVMPD
SUB32250
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
DRUG CENTRAL
296
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID60180332
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
PUBCHEM
6456014
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
FDA UNII
27Z82M2G1N
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
MERCK INDEX
m2298
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY Merck Index
INN
8483
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
WIKIPEDIA
BELOTECAN
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
MESH
C116963
Created by admin on Fri Dec 15 16:03:06 UTC 2023 , Edited by admin on Fri Dec 15 16:03:06 UTC 2023
PRIMARY
Related Record Type Details
DNA TOPOISOMERASE 1
TARGET -> INHIBITOR
Structure of BELOTECAN HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of BELOTECAN
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