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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H35N5O5
Molecular Weight 473.5652
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XIMELAGATRAN

SMILES

CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=N)NO

InChI

InChIKey=ZXIBCJHYVWYIKI-PZJWPPBQSA-N
InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1

HIDE SMILES / InChI
Molecular Formula C24H35N5O5
Molecular Weight 473.5652
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:51:56 UTC 2023
Edited
by admin
on Sat Dec 16 05:51:56 UTC 2023
Record UNII
49HFB70472
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XIMELAGATRAN
INN   JAN   MART.   MI   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
H 376/95
Code English
Glycine, N-[(1R)-1-cyclohexyl-2-[(2S)-2-[[[[4-[(hydroxyamino)iminomethyl]phenyl]methyl]amino]carbonyl]-1-azetidinyl]-2-oxoethyl]-, ethyl ester
Systematic Name English
Ximelagatran [WHO-DD]
Common Name English
XIMELAGATRAN [JAN]
Common Name English
XIMELAGATRAN [VANDF]
Common Name English
XIMELAGATRAN [MART.]
Common Name English
XIMELAGATRAN [USAN]
Common Name English
ximelagatran [INN]
Common Name English
XIMELAGATRAN [MI]
Common Name English
EXANTA
Brand Name English
ethyl ((R)-1-cyclohexyl-2-((S)-2-((4-((E)-(2-hydroxyhydrazono)methyl)benzyl)carbamoyl)azetidin-1-yl)-2-oxoethyl)glycinate
Systematic Name English
H-376/95
Code English
Classification Tree Code System Code
NCI_THESAURUS C263
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
WHO-VATC QB01AE05
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
WHO-ATC B01AE05
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
Code System Code Type Description
USAN
OO-32
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
DRUG CENTRAL
2852
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
ChEMBL
CHEMBL522038
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
EVMPD
SUB16473MIG
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
NCI_THESAURUS
C77996
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
SMS_ID
100000089522
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
MERCK INDEX
m11544
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
Ximelagatran
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
INN
8037
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
MESH
C426686
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
CHEBI
65172
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID5049075
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
DRUG BANK
DB04898
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
CAS
192939-46-1
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
FDA UNII
49HFB70472
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
PUBCHEM
656635
Created by admin on Sat Dec 16 05:51:56 UTC 2023 , Edited by admin on Sat Dec 16 05:51:56 UTC 2023
PRIMARY
Related Record Type Details
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Related Record Type Details
Structure of MELAGATRAN
METABOLITE ACTIVE -> PRODRUG
Related Record Type Details
Structure of MELAGATRAN
ACTIVE MOIETY
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