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Details

Stereochemistry ACHIRAL
Molecular Formula C17H37N7O3
Molecular Weight 387.5208
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRESPERIMUS

SMILES

NCCCNCCCCNC(=O)OCC(=O)NCCCCCCNC(N)=N

InChI

InChIKey=LVBMFPUTQOHXQE-UHFFFAOYSA-N
InChI=1S/C17H37N7O3/c18-8-7-10-21-9-5-6-13-24-17(26)27-14-15(25)22-11-3-1-2-4-12-23-16(19)20/h21H,1-14,18H2,(H,22,25)(H,24,26)(H4,19,20,23)

HIDE SMILES / InChI
Molecular Formula C17H37N7O3
Molecular Weight 387.5208
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:16 UTC 2023
Edited
by admin
on Fri Dec 15 15:32:16 UTC 2023
Record UNII
286F595V8H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRESPERIMUS
INN  
INN  
Official Name English
LF-08-0299
Code English
LF 08-0299
Code English
tresperimus [INN]
Common Name English
CARBAMIC ACID, (4-((3-AMINOPROPYL)AMINO)BUTYL)-, 2-((6-((AMINOIMINOMETHYL)AMINO)HEXYL)AMINO)-2-OXOETHYL ESTER
Systematic Name English
CARBAMIC ACID, N-(4-((3-AMINOPROPYL)AMINO)BUTYL)-, 2-((6-((AMINOIMINOMETHYL)AMINO)HEXYL)AMINO)-2-OXOETHYL ESTER
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C574
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
Code System Code Type Description
INN
7522
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
FDA UNII
286F595V8H
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID50166968
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
MESH
C092303
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL98034
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
NCI_THESAURUS
C66626
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
EVMPD
SUB11241MIG
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
PUBCHEM
3086680
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
SMS_ID
100000077505
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
CAS
160677-67-8
Created by admin on Fri Dec 15 15:32:16 UTC 2023 , Edited by admin on Fri Dec 15 15:32:16 UTC 2023
PRIMARY
Related Record Type Details
Structure of TRESPERIMUS TRIHYDROCHLORIDE
SALT/SOLVATE -> PARENT
COPPER AMINE OXIDASE
METABOLIC ENZYME -> SUBSTRATE
HEAT SHOCK COGNATE 71 KDA PROTEIN
TARGET -> INHIBITOR
Related Record Type Details
Structure of 2-((((4-((3-AMINOPROPYL)AMINO)BUTYL)AMINO)CARBONYL)OXY)ACETIC ACID
METABOLITE -> PARENT
PLASMA
Structure of 4-(((2-((6-((AMINOIMINOMETHYL)AMINO)HEXYL)AMINO)-2-OXOETHOXY)CARBONYL)AMINO)BUTANOIC ACID
METABOLITE -> PARENT
PLASMA
Structure of DEAMINOPROPYL-2-CARBOXYETHYLTRESPERIMUS
METABOLITE -> PARENT
PLASMA
Structure of GUANIDINE, N-(6-AMINOHEXYL)-
METABOLITE -> PARENT
PLASMA
Structure of DEAMINOPROPYLTRESPERIMUS
METABOLITE -> PARENT
PLASMA
Structure of DEAMINOPROPYL-3-OXOPROPYLTRESPERIMUS
METABOLITE -> PARENT
PLASMA
Structure of CARBAMIC ACID, (4-OXOBUTYL)-, 2-((6-((AMINOIMINOMETHYL)AMINO)HEXYL)AMINO)-2-OXOETHYL ESTER
METABOLITE -> PARENT
PLASMA
Related Record Type Details
Structure of TRESPERIMUS
ACTIVE MOIETY
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