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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27Cl2O7P.2Na
Molecular Weight 551.305
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.ALPHA.-METHYLDICHLORISONE PHOSPHATE DISODIUM

SMILES

[Na+].[Na+].[H][C@@]12C[C@@H](C)[C@](O)(C(=O)COP([O-])([O-])=O)[C@@]1(C)C[C@H](Cl)[C@@]3(Cl)[C@@]2([H])CCC4=CC(=O)C=C[C@]34C

InChI

InChIKey=KWCBUDBRAVGLHJ-FCJDYXGNSA-L
InChI=1S/C22H29Cl2O7P.2Na/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(23)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
16.ALPHA.-METHYLDICHLORISONE PHOSPHATE DISODIUM
Common Name English
16A-METHYL-DICHLORISONE-21-PHOSPHATE DISODIUM
Common Name English
PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, 21-(DIHYDROGEN PHOSPHATE), DISODIUM SALT
Common Name English
NSC-90615
Code English
Code System Code Type Description
NSC
90615
Created by admin on Sat Dec 16 07:44:04 GMT 2023 , Edited by admin on Sat Dec 16 07:44:04 GMT 2023
PRIMARY
PUBCHEM
131842175
Created by admin on Sat Dec 16 07:44:04 GMT 2023 , Edited by admin on Sat Dec 16 07:44:04 GMT 2023
PRIMARY
CAS
14635-53-1
Created by admin on Sat Dec 16 07:44:04 GMT 2023 , Edited by admin on Sat Dec 16 07:44:04 GMT 2023
PRIMARY
FDA UNII
1VYB1RE3LZ
Created by admin on Sat Dec 16 07:44:04 GMT 2023 , Edited by admin on Sat Dec 16 07:44:04 GMT 2023
PRIMARY