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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H65N3O5S
Molecular Weight 627.962
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SQUALAMINE

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)NCCCNCCCCN)[C@H](C)CC[C@@H](OS(O)(=O)=O)C(C)C

InChI

InChIKey=UIRKNQLZZXALBI-MSVGPLKSSA-N
InChI=1S/C34H65N3O5S/c1-23(2)31(42-43(39,40)41)12-9-24(3)27-10-11-28-32-29(14-16-34(27,28)5)33(4)15-13-26(21-25(33)22-30(32)38)37-20-8-19-36-18-7-6-17-35/h23-32,36-38H,6-22,35H2,1-5H3,(H,39,40,41)/t24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SQUALAMINE
INN   MI   WHO-DD  
INN  
Official Name English
SQUALAMINE [MI]
Common Name English
squalamine [INN]
Common Name English
Squalamine [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2143
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
Code System Code Type Description
MERCK INDEX
m10164
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY Merck Index
FDA UNII
F8PO54Z4V7
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
ChEMBL
CHEMBL444929
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
WIKIPEDIA
Squalamine
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
SMS_ID
300000036895
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
PUBCHEM
72495
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
DRUG BANK
DB06461
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
INN
8197
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
NCI_THESAURUS
C143004
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
CAS
148717-90-2
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
EPA CompTox
DTXSID40869971
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY
MESH
C079655
Created by admin on Fri Dec 15 18:49:06 UTC 2023 , Edited by admin on Fri Dec 15 18:49:06 UTC 2023
PRIMARY