ETHINYL ESTRADIOL 3-ISOPROPYLSULFONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30O4S
Molecular Weight	402.547
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHINYL ESTRADIOL 3-ISOPROPYLSULFONATE

Structure Search

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]3([H])C4=CC=C(OS(=O)(=O)C(C)C)C=C4CC[C@@]23[H]

InChI

InChIKey=KPEUDULLQDHKAZ-VROINQGHSA-N

InChI=1S/C23H30O4S/c1-5-23(24)13-11-21-20-8-6-16-14-17(27-28(25,26)15(2)3)7-9-18(16)19(20)10-12-22(21,23)4/h1,7,9,14-15,19-21,24H,6,8,10-13H2,2-4H3/t19-,20-,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H30O4S
Molecular Weight	402.547
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:46:52 GMT 2023` Edited by `admin` on `Sat Dec 16 08:46:52 GMT 2023`
Record UNII	XF48685MYR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHINYL ESTRADIOL 3-ISOPROPYLSULFONATE

Common Name

English

19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 3-(2-PROPANESULFONATE), (17.ALPHA.)-

Systematic Name

English

TURISTERON

Brand Name

English

Ethinylestradiol propane sulfonate [WHO-DD]

Common Name

English

2-PROPANESULFONIC ACID, 17-HYDROXY-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-3-YL ESTER

Systematic Name

English

17ALPHA-ETHINYL-3-ISOPROPYLSULFONYLOXYESTRADIOL

Common Name

English

19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-3,17-DIOL, 3-(2-PROPANESULFONATE)

Systematic Name

English

ETHINYLESTRADIOL SULFONATE

Common Name

English

ETHINYLESTRADIOL PROPANESULFONATE

Common Name

English

Code System Code Type Description

WIKIPEDIA

Ethinylestradiol sulfonate