loader
Please Wait
Applying Filters...

Euroapi Company Header Euroapi Company Header

X

Technical details about Gusperimus, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
1. Also known as: Deoxyspergualin (hydrochloride), 140gsk1enz, Nkt 01, 864390-05-6, Heptanamide, 7-((aminoiminomethyl)amino)-n-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, hydrochloride (1:1), Heptanamide, 7-((aminoiminomethyl)amino)-n-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, monohydrochloride
Molecular Formula
C17H38ClN7O3
Molecular Weight
424.0  g/mol
InChI Key
FODMSVBVCPOQRL-UHFFFAOYSA-N
FDA UNII
140GSK1ENZ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide;hydrochloride
2.1.2 InChI
InChI=1S/C17H37N7O3.ClH/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);1H
2.1.3 InChI Key
FODMSVBVCPOQRL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CCCN=C(N)N)CCC(=O)NC(C(=O)NCCCCNCCCN)O.Cl
2.2 Other Identifiers
2.2.1 UNII
140GSK1ENZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Deoxyspergualin (hydrochloride)

2. 140gsk1enz

3. Nkt 01

4. 864390-05-6

5. Heptanamide, 7-((aminoiminomethyl)amino)-n-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, Hydrochloride (1:1)

6. Heptanamide, 7-((aminoiminomethyl)amino)-n-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, Monohydrochloride

7. Nsc356894

8. Bms 181173

9. Bmy 42215-1

10. Unii-140gsk1enz

11. Heptanamide, Trihydrochloride

12. Schembl317327

13. Chembl1996913

14. Q27895816

2.4 Create Date
2008-07-11
3 Chemical and Physical Properties
Molecular Weight 424.0 g/mol
Molecular Formula C17H38ClN7O3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass423.2724658 g/mol
Monoisotopic Mass423.2724658 g/mol
Topological Polar Surface Area181 Ų
Heavy Atom Count28
Formal Charge0
Complexity429
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
Post Enquiry
POST ENQUIRY