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

Details

Stereochemistry ABSOLUTE
Molecular Formula C37H72N4O5S
Molecular Weight 685.056
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRODUSQUEMINE

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NCCCNCCCCNCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C

InChI

InChIKey=WUJVPODXELZABP-FWJXURDUSA-N
InChI=1S/C37H72N4O5S/c1-26(2)34(46-47(43,44)45)13-10-27(3)30-11-12-31-35-32(15-17-37(30,31)5)36(4)16-14-29(24-28(36)25-33(35)42)41-23-9-22-40-20-7-6-19-39-21-8-18-38/h26-35,39-42H,6-25,38H2,1-5H3,(H,43,44,45)/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TRODUSQUEMINE
INN   USAN  
USAN   INN  
Official Name English
MSI-1436
Code English
trodusquemine [INN]
Common Name English
(24R)-3β-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]amino]-7α-hydroxy-5α-cholestan-24-yl hydrogen sulfate
Systematic Name English
TRODUSQUEMINE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29728
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
Code System Code Type Description
WIKIPEDIA
Trodusquemine
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
CAS
186139-09-3
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
NCI_THESAURUS
C123882
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
SMS_ID
300000034424
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
USAN
NN-45
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
INN
8284
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
DRUG BANK
DB06333
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
FDA UNII
KKC12PIF16
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID701317590
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
ChEMBL
CHEMBL508583
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY
PUBCHEM
9917968
Created by admin on Fri Dec 15 16:32:03 UTC 2023 , Edited by admin on Fri Dec 15 16:32:03 UTC 2023
PRIMARY