U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31N4O15.7Na
Molecular Weight 776.4491
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Heptasodium Hexacarboxymethyl Dipeptide-12

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCCC[C@H](NC(=O)[C@H](CCCCN(CC([O-])=O)CC([O-])=O)N(CC([O-])=O)CC([O-])=O)C([O-])=O)CC([O-])=O

InChI

InChIKey=RNBTYFHZRQWJDX-QQXUACKGSA-G
InChI=1S/C24H38N4O15.7Na/c29-17(30)9-26(10-18(31)32)7-3-1-5-15(24(42)43)25-23(41)16(28(13-21(37)38)14-22(39)40)6-2-4-8-27(11-19(33)34)12-20(35)36;;;;;;;/h15-16H,1-14H2,(H,25,41)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,42,43);;;;;;;/q;7*+1/p-7/t15-,16-;;;;;;;/m0......./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H31N4O15
Molecular Weight 615.5207
Charge -7
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:23:27 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:27 GMT 2025
Record UNII
D7956W29BM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Heptasodium Hexacarboxymethyl Dipeptide-12
INCI  
Official Name English
L-Lysine, N<sup>2</sup>,N<sup>2</sup>,N<sup>6</sup>,N<sup>6</sup>-tetrakis(carboxymethyl)-L-lysyl-N<sup>6</sup>,N<sup>6</sup>-bis(carboxymethyl)-, heptasodium salt
Preferred Name English
Code System Code Type Description
CAS
2177312-59-1
Created by admin on Wed Apr 02 21:23:27 GMT 2025 , Edited by admin on Wed Apr 02 21:23:27 GMT 2025
PRIMARY
CAS
1894171-13-1
Created by admin on Wed Apr 02 21:23:27 GMT 2025 , Edited by admin on Wed Apr 02 21:23:27 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
D7956W29BM
Created by admin on Wed Apr 02 21:23:27 GMT 2025 , Edited by admin on Wed Apr 02 21:23:27 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE