U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C86H109N21O26S2
Molecular Weight 1917.041
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VINTAFOLIDE

SMILES

[H][C@@]12N3CC[C@@]14C5=C(C=C(OC)C(=C5)[C@]6(C[C@H]7C[N@](C[C@](O)(CC)C7)CCC8=C6NC9=CC=CC=C89)C(=O)OC)N(C)[C@@]4([H])[C@](O)([C@H](O)[C@]2(CC)C=CC3)C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)C%10=CC=C(NCC%11=NC%12=C(N=C%11)N=C(N)NC%12=O)C=C%10)C(O)=O)C(O)=O

InChI

InChIKey=KUZYSQSABONDME-QRLOMCMNSA-N
InChI=1S/C86H109N21O26S2/c1-6-82(129)35-42-36-85(78(127)132-5,64-47(21-26-106(39-42)41-82)46-12-8-9-13-50(46)95-64)49-30-48-57(34-58(49)131-4)105(3)75-84(48)23-27-107-25-11-22-83(7-2,74(84)107)76(125)86(75,130)77(126)103-104-81(128)133-28-29-134-135-40-56(73(123)124)100-70(119)55(33-62(113)114)99-69(118)54(32-61(111)112)98-67(116)51(14-10-24-90-79(87)88)96-68(117)53(31-60(109)110)94-59(108)20-19-52(72(121)122)97-66(115)43-15-17-44(18-16-43)91-37-45-38-92-65-63(93-45)71(120)102-80(89)101-65/h8-9,11-13,15-18,22,30,34,38,42,51-56,74-76,91,95,125,129-130H,6-7,10,14,19-21,23-29,31-33,35-37,39-41H2,1-5H3,(H,94,108)(H,96,117)(H,97,115)(H,98,116)(H,99,118)(H,100,119)(H,103,126)(H,104,128)(H,109,110)(H,111,112)(H,113,114)(H,121,122)(H,123,124)(H4,87,88,90)(H3,89,92,101,102,120)/t42-,51-,52-,53-,54-,55-,56-,74-,75+,76+,82-,83+,84+,85-,86-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
VINTAFOLIDE
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
Vintafolide [WHO-DD]
Common Name English
EC145
Code English
VINTAFOLIDE [USAN]
Common Name English
EC-145
Code English
vintafolide [INN]
Common Name English
Classification Tree Code System Code
WHO-VATC QL01CA06
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
NCI_THESAURUS C67422
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
FDA ORPHAN DRUG 415513
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
WHO-ATC L01CA06
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
Code System Code Type Description
DRUG BANK
DB05168
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
USAN
XX-106
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
FDA UNII
36O410ZD4I
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
NCI_THESAURUS
C62525
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
PUBCHEM
25014653
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
INN
9564
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID201030294
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
EVMPD
SUB89246
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
DRUG CENTRAL
4831
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
MESH
C520389
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
CAS
742092-03-1
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
WIKIPEDIA
Vintafolide
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY
ChEMBL
CHEMBL3039521
Created by admin on Fri Dec 15 15:59:31 UTC 2023 , Edited by admin on Fri Dec 15 15:59:31 UTC 2023
PRIMARY