16.ALPHA.-METHYLDICHLORISONE PHOSPHATE DISODIUM

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

Structure Search

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

Molecular Formula	C22H27Cl2O7P
Molecular Weight	505.325
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:44:04 GMT 2023` Edited by `admin` on `Sat Dec 16 07:44:04 GMT 2023`
Record UNII	1VYB1RE3LZ
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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Related Record Type Details


					912U0LL2O2

16.ALPHA.-METHYLDICHLORISONE PHOSPHATE

PARENT -> SALT/SOLVATE