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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29N5O6
Molecular Weight 447.4849
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROXIFIBAN

SMILES

CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)C2=CC=C(C=C2)C(N)=N)C(=O)OC

InChI

InChIKey=IRAXRQFCCSHQDX-WBVHZDCISA-N
InChI=1S/C21H29N5O6/c1-3-4-9-31-21(29)25-17(20(28)30-2)12-24-18(27)11-15-10-16(26-32-15)13-5-7-14(8-6-13)19(22)23/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,29)/t15-,17+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ROXIFIBAN
INN   WHO-DD  
INN  
Official Name English
L-ALANINE, 3-(((3-(4-(AMINOIMINOMETHYL)PHENYL)-4,5-DIHYDRO-5-ISOXAZOLYL)ACETYL)AMINO)-N-(BUTOXYCARBONYL)-, METHYL ESTER, (R)-
Common Name English
roxifiban [INN]
Common Name English
Roxifiban [WHO-DD]
Common Name English
(2S)-3-(2-((5R)-3-(P-AMIDINOPHENYL)-2-ISOXAZOLIN-5-YL)ACETAMIDO)-2-(CARBOXYAMINO)PROPIONIC ACID, 2-BUTYL METHYL ESTER
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
Code System Code Type Description
FDA UNII
Q476FMZ72G
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
CAS
170902-47-3
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
PUBCHEM
177230
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
INN
7619
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
SMS_ID
100000084386
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
NCI_THESAURUS
C152267
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL18301
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID70168969
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
MESH
C118235
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY
EVMPD
SUB10398MIG
Created by admin on Fri Dec 15 18:36:48 UTC 2023 , Edited by admin on Fri Dec 15 18:36:48 UTC 2023
PRIMARY