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Details

Stereochemistry ACHIRAL
Molecular Formula C16H26N5O8.Ca.Na
Molecular Weight 479.474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALDIAMIDE SODIUM ANHYDROUS

SMILES

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

InChI

InChIKey=YOVKQJBQALQTMU-UHFFFAOYSA-K
InChI=1S/C16H29N5O8.Ca.Na/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;/q;+2;+1/p-3

HIDE SMILES / InChI

Approval Year

Name Type Language
CALDIAMIDE SODIUM ANHYDROUS
Common Name English
SODIUM (N,N-BIS(2-((CARBOXYMETHYL)(METHYLCARBAMOYL)METHYL)AMINO)ETHYL)GLYCINATO(3-))CALCIATE(1-)
Common Name English
CALCIATE(1-), (5,8-BIS(CARBOXYMETHYL)-11-(2-(METHYLAMINO)-2-OXOETHYL)-3-OXO-2,5,8,11-TETRAAZATRIDECAN-13-OATO(3-))-, SODIUM
Common Name English
Code System Code Type Description
FDA UNII
9G03615Q60
Created by admin on Sat Dec 16 06:35:58 UTC 2023 , Edited by admin on Sat Dec 16 06:35:58 UTC 2023
PRIMARY
CAS
131410-50-9
Created by admin on Sat Dec 16 06:35:58 UTC 2023 , Edited by admin on Sat Dec 16 06:35:58 UTC 2023
PRIMARY
PUBCHEM
164319
Created by admin on Sat Dec 16 06:35:58 UTC 2023 , Edited by admin on Sat Dec 16 06:35:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID50157033
Created by admin on Sat Dec 16 06:35:58 UTC 2023 , Edited by admin on Sat Dec 16 06:35:58 UTC 2023
PRIMARY
SMS_ID
100000129772
Created by admin on Sat Dec 16 06:35:58 UTC 2023 , Edited by admin on Sat Dec 16 06:35:58 UTC 2023
PRIMARY