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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H72N4O5S.3ClH
Molecular Weight 794.439
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRODUSQUEMINE HYDROCHLORIDE

SMILES

Cl.Cl.Cl.[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=DJYRGAKPWPDNTA-YPRMBGODSA-N
InChI=1S/C37H72N4O5S.3ClH/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);3*1H/t27-,28-,29+,30-,31+,32+,33-,34-,35+,36+,37-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula C37H72N4O5S
Molecular Weight 685.056
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:37 UTC 2023
Edited
by admin
on Sat Dec 16 09:46:37 UTC 2023
Record UNII
7VON0S1S42
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRODUSQUEMINE HYDROCHLORIDE
Common Name English
CHOLESTANE-7,24-DIOL, 3-((3-((4-((3-AMINOPROPYL)AMINO)BUTYL)AMINO)PROPYL)AMINO)-, 24-(HYDROGEN SULFATE), (3.BETA.,5.ALPHA.,7.ALPHA.,24R)-, TRIHYDROCHLORIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 800120
Created by admin on Sat Dec 16 09:46:37 UTC 2023 , Edited by admin on Sat Dec 16 09:46:37 UTC 2023
Code System Code Type Description
DRUG BANK
DBSALT002006
Created by admin on Sat Dec 16 09:46:37 UTC 2023 , Edited by admin on Sat Dec 16 09:46:37 UTC 2023
PRIMARY
FDA UNII
7VON0S1S42
Created by admin on Sat Dec 16 09:46:37 UTC 2023 , Edited by admin on Sat Dec 16 09:46:37 UTC 2023
PRIMARY
PUBCHEM
76957349
Created by admin on Sat Dec 16 09:46:37 UTC 2023 , Edited by admin on Sat Dec 16 09:46:37 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY