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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21Cl2F3N5O12P3S2.4Na
Molecular Weight 864.287
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANGRELOR TETRASODIUM

SMILES

[Na+].[Na+].[Na+].[Na+].CSCCNC1=C2N=CN([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)C(Cl)(Cl)P([O-])([O-])=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1

InChI

InChIKey=COWWROCHWNGJHQ-OPKBHZIBSA-J
InChI=1S/C17H25Cl2F3N5O12P3S2.4Na/c1-43-5-3-23-12-9-13(26-15(25-12)44-4-2-16(20,21)22)27(7-24-9)14-11(29)10(28)8(38-14)6-37-42(35,36)39-41(33,34)17(18,19)40(30,31)32;;;;/h7-8,10-11,14,28-29H,2-6H2,1H3,(H,33,34)(H,35,36)(H,23,25,26)(H2,30,31,32);;;;/q;4*+1/p-4/t8-,10-,11-,14-;;;;/m1..../s1

HIDE SMILES / InChI

Molecular Formula C17H21Cl2F3N5O12P3S2
Molecular Weight 772.327
Charge -4
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:48:45 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:45 UTC 2023
Record UNII
2144G00Y7W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANGRELOR TETRASODIUM
MART.   USAN   WHO-DD  
USAN  
Official Name English
CANGRELOR TETRASODIUM [MART.]
Common Name English
CANGRELOR TETRASODIUM SALT [MI]
Common Name English
Cangrelor tetrasodium [WHO-DD]
Common Name English
AR-C69931MX
Code English
CANGRELOR TETRASODIUM SALT
MI  
Common Name English
CANGRELOR TETRASODIUM [USAN]
Common Name English
KENGREXAL
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
EMA ASSESSMENT REPORTS KENGREXAL (AUTHORIZED: VASCULAR SURGICAR PROCEDURES
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
EMA ASSESSMENT REPORTS KENGREXAL (AUTHORIZED: ACUTE CORONARY SYNDROME)
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
Code System Code Type Description
SMS_ID
100000168765
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
DRUG BANK
DBSALT001292
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
RXCUI
1656051
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY RxNorm
PUBCHEM
10260031
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
CAS
163706-36-3
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
USAN
RR-129
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
FDA UNII
2144G00Y7W
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
NCI_THESAURUS
C76396
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
ChEMBL
CHEMBL334966
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
MERCK INDEX
m3019
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID50167652
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
EVMPD
SUB182388
Created by admin on Fri Dec 15 15:48:45 UTC 2023 , Edited by admin on Fri Dec 15 15:48:45 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY