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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H37N7O4.3ClH
Molecular Weight 512.903
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SPERGUALIN TRIHYDROCHLORIDE

SMILES

Cl.Cl.Cl.NCCCNCCCCNC(=O)[C@H](O)NC(=O)C[C@@H](O)CCCCNC(N)=N

InChI

InChIKey=XWNJZPKETIWTTF-RIHGSVRJSA-N
InChI=1S/C17H37N7O4.3ClH/c18-7-5-9-21-8-3-4-10-22-15(27)16(28)24-14(26)12-13(25)6-1-2-11-23-17(19)20;;;/h13,16,21,25,28H,1-12,18H2,(H,22,27)(H,24,26)(H4,19,20,23);3*1H/t13-,16-;;;/m0.../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SPERGUALIN TRIHYDROCHLORIDE
Common Name English
Code System Code Type Description
CAS
80952-47-2
Created by admin on Sat Dec 16 03:58:53 UTC 2023 , Edited by admin on Sat Dec 16 03:58:53 UTC 2023
PRIMARY
PUBCHEM
71587298
Created by admin on Sat Dec 16 03:58:53 UTC 2023 , Edited by admin on Sat Dec 16 03:58:53 UTC 2023
PRIMARY
FDA UNII
X391873NYD
Created by admin on Sat Dec 16 03:58:53 UTC 2023 , Edited by admin on Sat Dec 16 03:58:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID30230813
Created by admin on Sat Dec 16 03:58:53 UTC 2023 , Edited by admin on Sat Dec 16 03:58:53 UTC 2023
PRIMARY