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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28FO8P.2Na
Molecular Weight 516.4046
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Disodium 10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-3,10a,12a-trimethyl-2-[(phosphonooxy)methyl]-1,8(2H,4bH)-Chrysenedione, (2S,3S,4aS,4bS,10aS,10bR,11S,12aS)-

SMILES

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

InChI

InChIKey=JQMLWKMUOSKQIT-JUDNMTCPSA-L
InChI=1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,3)22(15,23)17(25)10-19(16,2)18(26)21(12,27)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15-,16-,17-,19-,20-,21+,22-;;/m0../s1

HIDE SMILES / InChI

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 C22H28FO8P
Molecular Weight 470.4251
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:09:26 GMT 2023
Edited
by admin
on Sat Dec 16 14:09:26 GMT 2023
Record UNII
EG8D264VCY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Disodium 10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-3,10a,12a-trimethyl-2-[(phosphonooxy)methyl]-1,8(2H,4bH)-Chrysenedione, (2S,3S,4aS,4bS,10aS,10bR,11S,12aS)-
Systematic Name English
SODIUM ((2S,3S,10AS,10BR,11S,12AS)-10B-FLUORO-2,11-DIHYDROXY-3,10A,12A-TRIMETHYL-1,8-DIOXO-3,4,4A,4B,5,6,11,12-OCTAHYDROCHRYSEN-2-YL)METHYL PHOSPHATE
Systematic Name English
1,8(2H,4bH)-Chrysenedione, 10b-fluoro-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2,11-dihydroxy-3,10a,12a-trimethyl-2-[(phosphonooxy)methyl]-, sodium salt (1:2), (2S,3S,4aS,4bS,10aS,10bR,11S,12aS)-
Systematic Name English
EPIMER OF RRT 0.71 DEGRADANT
Common Name English
Code System Code Type Description
CAS
1201919-21-2
Created by admin on Sat Dec 16 14:09:26 GMT 2023 , Edited by admin on Sat Dec 16 14:09:26 GMT 2023
PRIMARY
PUBCHEM
164888949
Created by admin on Sat Dec 16 14:09:26 GMT 2023 , Edited by admin on Sat Dec 16 14:09:26 GMT 2023
PRIMARY
FDA UNII
EG8D264VCY
Created by admin on Sat Dec 16 14:09:26 GMT 2023 , Edited by admin on Sat Dec 16 14:09:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> DEGRADENT