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
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
Approval Year
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
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 | ||
---|---|---|---|---|---|
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 |
METABOLITE ACTIVE (PRODRUG)
SUBSTANCE RECORD