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)-

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)-

Structure Search

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

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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

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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

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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

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