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Details

Stereochemistry ACHIRAL
Molecular Formula C18H20O8P2.4Na
Molecular Weight 518.2532
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXESTROL DIPHOSPHATE TETRASODIUM

SMILES

[Na+].[Na+].[Na+].[Na+].CC[C@@H]([C@@H](CC)C1=CC=C(OP([O-])([O-])=O)C=C1)C2=CC=C(OP([O-])([O-])=O)C=C2

InChI

InChIKey=DNCWQZVLWAEATB-YHCLLLHXSA-J
InChI=1S/C18H24O8P2.4Na/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24;;;;/h5-12,17-18H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24);;;;/q;4*+1/p-4/t17-,18+;;;;

HIDE SMILES / InChI

Approval Year

Name Type Language
HEXESTROL DIPHOSPHATE TETRASODIUM
Common Name English
HEXESTROL DIPHOSPHATE SODIUM [JAN]
Common Name English
PHENOL, 4,4'-((1R,2S)-1,2-DIETHYL-1,2-ETHANEDIYL)BIS-, BIS(DIHYDROGEN PHOSPHATE), TETRASODIUM SALT, REL-
Common Name English
HEXESTROL DIPHOSPHATE SODIUM
JAN  
Common Name English
Code System Code Type Description
CAS
171399-06-7
Created by admin on Sat Dec 16 06:57:24 UTC 2023 , Edited by admin on Sat Dec 16 06:57:24 UTC 2023
NON-SPECIFIC STOICHIOMETRY
DRUG BANK
DBSALT001081
Created by admin on Sat Dec 16 06:57:24 UTC 2023 , Edited by admin on Sat Dec 16 06:57:24 UTC 2023
PRIMARY
FDA UNII
VK60X9E36E
Created by admin on Sat Dec 16 06:57:24 UTC 2023 , Edited by admin on Sat Dec 16 06:57:24 UTC 2023
PRIMARY
PUBCHEM
71587571
Created by admin on Sat Dec 16 06:57:24 UTC 2023 , Edited by admin on Sat Dec 16 06:57:24 UTC 2023
PRIMARY
ChEMBL
CHEMBL9225
Created by admin on Sat Dec 16 06:57:24 UTC 2023 , Edited by admin on Sat Dec 16 06:57:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID50169075
Created by admin on Sat Dec 16 06:57:24 UTC 2023 , Edited by admin on Sat Dec 16 06:57:24 UTC 2023
PRIMARY