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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H38N6O4
Molecular Weight 438.5642
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INOGATRAN

SMILES

NC(=N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC2CCCCC2)NCC(O)=O

InChI

InChIKey=CDPROXZBMHOBTQ-SJORKVTESA-N
InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H38N6O4
Molecular Weight 438.5642
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:28:11 UTC 2023
Edited
by admin
on Fri Dec 15 16:28:11 UTC 2023
Record UNII
428409I84L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INOGATRAN
INN  
INN  
Official Name English
inogatran [INN]
Common Name English
N-((1R)-2-CYCLOHEXYL-1-(((2S)-2-((3-GUANIDINOPROPYL)CARBAMOYL)PIPERIDINO)CARBONYL)ETHYL)GLYCINE
Systematic Name English
Code System Code Type Description
INN
7285
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
PUBCHEM
66005
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
ChEMBL
CHEMBL114715
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
EVMPD
SUB08190MIG
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
WIKIPEDIA
INOGATRAN
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID50165895
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
MESH
C099871
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
FDA UNII
428409I84L
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
CAS
155415-08-0
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
NCI_THESAURUS
C166712
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
SMS_ID
100000083418
Created by admin on Fri Dec 15 16:28:11 UTC 2023 , Edited by admin on Fri Dec 15 16:28:11 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY