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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18N3O10.Ca.3Na
Molecular Weight 497.354
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTETATE CALCIUM TRISODIUM

SMILES

[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O

InChI

InChIKey=AYFCVLSUPGCQKD-UHFFFAOYSA-I
InChI=1S/C14H23N3O10.Ca.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5

HIDE SMILES / InChI
Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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
Molecular Formula C14H18N3O10
Molecular Weight 388.3068
Charge -5
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

2004
210
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:01:26 GMT 2023
Edited
by admin
on Sat Dec 16 16:01:26 GMT 2023
Record UNII
G79YN26H5B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTETATE CALCIUM TRISODIUM
II   MI   ORANGE BOOK   USAN   VANDF  
USAN  
Official Name English
NSC-34249
Code English
PENTETATE CALCIUM TRISODIUM [JAN]
Common Name English
CALCIUM TRISODIUM PENTETATE [MART.]
Common Name English
CALCIUM TRISODIUM DIETHYLENETRIAMINE PENTAACETATE
Systematic Name English
CALCIUM TRISODIUM PENTETATE
INN   MART.   WHO-DD  
INN  
Official Name English
Calcium trisodium pentetate [WHO-DD]
Common Name English
PENTETATE CALCIUM TRISODIUM [MI]
Common Name English
TRISODIUM(N,N-BIS(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)GLYCINATO(5-))CALCIATE(3-)
Common Name English
CALCIATE(3-),(N,N-BIS(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)GLYCINATO(5-))-,TRISODIUM
Common Name English
calcium trisodium pentetate [INN]
Common Name English
CALCIUM TRISODIUM DTPA
Common Name English
PENTETATE CALCIUM TRISODIUM [VANDF]
Common Name English
PENTETATE CALCIUM TRISODIUM [II]
Common Name English
PENTETATE CALCIUM TRISODIUM [USAN]
Common Name English
PENTETATE CALCIUM TRISODIUM [ORANGE BOOK]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C62357
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID8065248
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
INN
1858
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
MERCK INDEX
m8506
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY Merck Index
DAILYMED
G79YN26H5B
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
DRUG CENTRAL
4753
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
CAS
12111-24-9
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
RXCUI
132879
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY RxNorm
ECHA (EC/EINECS)
235-169-1
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
NCI_THESAURUS
C74576
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
NSC
34249
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
SMS_ID
100000092296
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
PUBCHEM
25513
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
DRUG BANK
DBSALT002670
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
FDA UNII
G79YN26H5B
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
ChEMBL
CHEMBL780
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
EVMPD
SUB13204MIG
Created by admin on Sat Dec 16 16:01:26 GMT 2023 , Edited by admin on Sat Dec 16 16:01:26 GMT 2023
PRIMARY
Related Record Type Details
Structure of PENTETIC ACID
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of CALCIUM CATION
ACTIVE MOIETY
Structure of PENTETIC ACID
ACTIVE MOIETY
NIH
NCATS
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