Basic information
- CAS
84937-45-1- Standard SMILES
Cl.Cl.Cl.NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCN=C(N)N- InChIKey
AXSPHUWXYSZPBG-OKUPDQQSSA-N- Molecular formula
- C17H40Cl3N7O3
- Average molar mass
- 496.9 g/mol
- Monoisotopic mass
- 495.22582118
Names & identifiers
- Preferred name
- (-)-Gusperimus trihydrochloride
- IUPAC
- N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide;trihydrochloride
- English name
- gusperimus
- Molecular formula
- C17H38ClN7O3
- Molecular weight
- 423.99
Names & synonyms
84937-45-1Gusperimus (-)-form trihydrochloride(-)-Gusperimus trihydrochlorideS0D7V00ZRXHeptanamide, 7-((aminoiminomethyl)amino)-N-((1S)-2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, trihydrochlorideHeptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, trihydrochloride, (S)-DTXSID00233977RefChem:1049106DTXCID30156468Deoxyspergualin trihydrochloride(-)-15-Deoxyspergualin trihydrochlorideUNII-S0D7V00ZRX
Show more names
Gusperimus Hydrochloride(-)-Form trihydrochloride
Gusperimus HClN-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide;trihydrochloride(-)-(15S)-1-Amino-19-guanidino-11,15-dihydroxy-4,9,12-triazanonadecane-10,13-dione 3HCl(-)-15-Deoxyspergualin (trihydrochloride)Heptanamide, 7-((aminoiminomethyl)amino)-N-(2-((4-((3-aminopropyl)amino)butyl)amino)-1-hydroxy-2-oxoethyl)-, trihydrochloride, (-)-(-)-Gusperimus Trihydrochloride; Deoxyspergualin Trihydrochloride; (S)-7-[(Aminoiminomethyl)amino]-N-[2-[[4-[(3-aminopropyl)amino]butyl]amino]-1-hydroxy-2-oxoethyl]heptanamide Trihydrochlorideorb1941160HY-10939A
Database identifiers
- CAS
84937-45-1- PubChem CID
- 91271
- DTXSID
DTXSID00233977- UNII
- S0D7V00ZRX
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Melting point
- 85 · 85 - 90°C
- alpha
- 25 · D25 -7.3° (c = 1 in H2O)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- FDA UNII
- 0 D7V00ZRX · S0D7V00ZRX
- Toxicity
- 50 in · LD50 in mice (mg/kg): 35-40 i.v. or i.p. (Iwasawa)
Safety & regulation
Safety data
- Toxicity
- LD50 in mice (mg/kg): 35-40 i.v. or i.p. (Iwasawa)
Chemistry & industry
Applications
UsesImmunosuppressant.
Uses(-)-15-Deoxyspergualin Trihydrochloride is an immunosuppressive drug with potential use in the treatment of transplant rejection.
Suppliers6 total
LGM Pharma1-(800)-881-8210 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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