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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H37N7O3.3ClH
Molecular Weight 496.904
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GUSPERIMUS TRIHYDROCHLORIDE, (R)-

SMILES

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

InChI

InChIKey=AXSPHUWXYSZPBG-UFRNLTNDSA-N
InChI=1S/C17H37N7O3.3ClH/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20;;;/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23);3*1H/t16-;;;/m1.../s1

HIDE SMILES / InChI

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

Molecular Formula C17H37N7O3
Molecular Weight 387.5208
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:55:23 GMT 2023
Edited
by admin
on Sat Dec 16 11:55:23 GMT 2023
Record UNII
W90471621Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GUSPERIMUS TRIHYDROCHLORIDE, (R)-
Common Name English
HEPTANAMIDE, 7-((AMINOIMINOMETHYL)AMINO)-N-((1R)-2-((4-((3-AMINOPROPYL)AMINO)BUTYL)AMINO)-1-HYDROXY-2-OXOETHYL)-, TRIHYDROCHLORIDE
Common Name English
HEPTANAMIDE, 7-((AMINOIMINOMETHYL)AMINO)-N-((1R)-2-((4-((3-AMINOPROPYL)AMINO)BUTYL)AMINO)-1-HYDROXY-2-OXOETHYL)-, HYDROCHLORIDE (1:3)
Systematic Name English
Code System Code Type Description
PUBCHEM
76964007
Created by admin on Sat Dec 16 11:55:24 GMT 2023 , Edited by admin on Sat Dec 16 11:55:24 GMT 2023
PRIMARY
CAS
220442-79-5
Created by admin on Sat Dec 16 11:55:23 GMT 2023 , Edited by admin on Sat Dec 16 11:55:23 GMT 2023
PRIMARY
FDA UNII
W90471621Q
Created by admin on Sat Dec 16 11:55:24 GMT 2023 , Edited by admin on Sat Dec 16 11:55:24 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
RACEMATE -> ENANTIOMER