ESTRONE SODIUM SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21O5S.Na
Molecular Weight	372.411
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OS([O-])(=O)=O)C=C4

InChI

InChIKey=VUCAHVBMSFIGAI-ZFINNJDLSA-M

InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C18H21O5S
Molecular Weight	349.421
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
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 `Fri Dec 15 16:35:36 UTC 2023` Edited by `admin` on `Fri Dec 15 16:35:36 UTC 2023`
Record UNII	6K6FDA543A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRONE SODIUM SULFATE

Common Name

English

ESTRONE SODIUM SULFATE [VANDF]

Common Name

English

SODIUM 17-OXOESTRA-1,3,5(10)-TRIEN-3-YL SULFATE

Systematic Name

English

SODIUM (8R,9S,13S,14S)-13-METHYL-17-OXO-7,8,9,11,12,13,14,15,16,17-DECAHYDRO-6H-CYCLOPENTA(A)PHENANTHREN-3-YL SULFATE

Common Name

English

SODIUM ESTRONE SULFATE

Common Name

English

SODIUM ESTRONE SULPHATE

Common Name

English

17-OXOESTRA-1,3,5(10)-TRIEN-3-YL SODIUM SULFATE

Systematic Name

English

ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-(SULFOOXY)-, SODIUM SALT

Common Name

English

Estrone sodium sulfate [WHO-DD]

Common Name

English

ESTRONE SODIUM SULPHATE

Common Name

English

NSC-18313

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C2181