16.ALPHA.-METHYLDICHLORISONE PHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29Cl2O7P
Molecular Weight	507.341
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 16.ALPHA.-METHYLDICHLORISONE PHOSPHATE

Structure Search

SMILES

[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=IWXJOGVQEPOQSU-CXSFZGCWSA-N

InChI=1S/C22H29Cl2O7P/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)/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H29Cl2O7P
Molecular Weight	507.341
Charge	0
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 `Fri Dec 15 15:03:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:03:27 GMT 2023`
Record UNII	912U0LL2O2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16.ALPHA.-METHYLDICHLORISONE PHOSPHATE

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 9,11.BETA.-DICHLORO-17,21-DIHYDROXY-16.ALPHA.-METHYL-, 21-(DIHYDROGEN PHOSPHATE)

Common Name

English

PREGNA-1,4-DIENE-3,20-DIONE, 9,11-DICHLORO-17-HYDROXY-16-METHYL-21-(PHOSPHONOOXY)-, (11.BETA.,16.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5351916

Created by admin on Fri Dec 15 15:03:27 GMT 2023 , Edited by admin on Fri Dec 15 15:03:27 GMT 2023

PRIMARY

CAS

18484-70-3

Created by admin on Fri Dec 15 15:03:27 GMT 2023 , Edited by admin on Fri Dec 15 15:03:27 GMT 2023

PRIMARY

FDA UNII

912U0LL2O2

Created by admin on Fri Dec 15 15:03:27 GMT 2023 , Edited by admin on Fri Dec 15 15:03:27 GMT 2023

PRIMARY

Related Record Type Details


					1VYB1RE3LZ

16.ALPHA.-METHYLDICHLORISONE PHOSPHATE DISODIUM

SALT/SOLVATE -> PARENT