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Details

Stereochemistry RACEMIC
Molecular Formula C18H31N4O9.Ca.Na
Molecular Weight 510.528
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCOBUTROL SODIUM

SMILES

[Na+].[Ca++].OC[C@@H](O)[C@@H](CO)N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1

InChI

InChIKey=YZRJMLDIJKMCBB-FXUMYAARSA-K
InChI=1S/C18H34N4O9.Ca.Na/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);;/q;+2;+1/p-3/t14-,15-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CALCOBUTROL SODIUM
Common Name English
CALCIUM SODIUM BUTROL
Common Name English
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7-TRIACETIC ACID, 10-(2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL)-, CALCIUM, SODIUM SALT (1:1), (R*,S*)-(±)-
Systematic Name English
Code System Code Type Description
FDA UNII
PO5286589K
Created by admin on Sat Dec 16 10:47:44 UTC 2023 , Edited by admin on Sat Dec 16 10:47:44 UTC 2023
PRIMARY
DAILYMED
PO5286589K
Created by admin on Sat Dec 16 10:47:44 UTC 2023 , Edited by admin on Sat Dec 16 10:47:44 UTC 2023
PRIMARY
PUBCHEM
91617754
Created by admin on Sat Dec 16 10:47:44 UTC 2023 , Edited by admin on Sat Dec 16 10:47:44 UTC 2023
PRIMARY
SMS_ID
100000076475
Created by admin on Sat Dec 16 10:47:44 UTC 2023 , Edited by admin on Sat Dec 16 10:47:44 UTC 2023
PRIMARY
EVMPD
SUB15992MIG
Created by admin on Sat Dec 16 10:47:44 UTC 2023 , Edited by admin on Sat Dec 16 10:47:44 UTC 2023
PRIMARY
EVMPD
SUB36902
Created by admin on Sat Dec 16 10:47:44 UTC 2023 , Edited by admin on Sat Dec 16 10:47:44 UTC 2023
PRIMARY