ESTRONE SULFATE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22O5S
Molecular Weight	350.429
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRONE SULFATE

Structure Search

SMILES

[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=JKKFKPJIXZFSSB-CBZIJGRNSA-N

InChI=1S/C18H22O5S/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)/t14-,15-,16+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H22O5S
Molecular Weight	350.429
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:29:08 UTC 2023` Edited by `admin` on `Sat Dec 16 00:29:08 UTC 2023`
Record UNII	QTL48N278K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ESTRONE SULFATE

Common Name

English

ESTRONE 3 SULFATE

Common Name

English

ESTRONE-3-SULFATE

Common Name

English

ESTRONE-3-SULPHATE

Common Name

English

ESTRONE, HYDROGEN SULFATE

Common Name

English

US-2917522

Code

English

ESTRONE SULFATE [MI]

Common Name

English

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

Systematic Name

English

ESTRADIOL METABOLITE (E1S)

Common Name

English

ESTRA-1,3,5 (10)-TRIENE-17-ONE-3-YL-SULFATE

Common Name

English

ESTRONE BISULFATE

Common Name

English

CONJUGOL

Brand Name

English

PRICE

Brand Name

English

ESTRONE HEMISULFATE

Common Name

English

ESTRONE HYDROGEN SULFATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2181

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

LOINC

15355-1

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

Code System Code Type Description

SMS_ID

100000124394

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

WIKIPEDIA

Estrone sulfate (medication)

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

MESH

C017296

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

NCI_THESAURUS

C1091

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

WIKIPEDIA

ESTRONE SULFATE

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

ECHA (EC/EINECS)

207-575-9

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

FDA UNII

QTL48N278K

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

IUPHAR

4749

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

CAS

481-97-0

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

DRUG BANK

DB04574

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

MERCK INDEX

m5033

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

Merck Index

CHEBI

17474

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

EVMPD

SUB32459

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

PUBCHEM

3001028

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

EPA CompTox

DTXSID50891501

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

DRUG CENTRAL

4857

Created by admin on Sat Dec 16 00:29:08 UTC 2023 , Edited by admin on Sat Dec 16 00:29:08 UTC 2023

PRIMARY

Related Record Type Details


					B46KUN2O9L

MATE-2

TRANSPORTER -> SUBSTRATE

Qualification:

Vmax

Amount:


					570V991KGQ

SOLUTE CARRIER FAMILY 21 MEMBER 3

TRANSPORTER -> SUBSTRATE


					AIN96D6SGL

OATP1B1

TRANSPORTER -> INHIBITOR


					Y49M64GZ4Q

MRP-1

TRANSPORTER -> INHIBITOR

Amount:


					AIN96D6SGL

OATP1B1

TRANSPORTER -> SUBSTRATE


					SVI38UY019

SALT/SOLVATE -> PARENT


					6NP3XSMIP3

MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1

TRANSPORTER -> SUBSTRATE

Qualification:

Km

Amount:


					B46KUN2O9L

MATE-2

TRANSPORTER -> SUBSTRATE

Qualification:

Km

Amount:


					C354LET0O4

POTASSIUM ESTRONE SULFATE

SALT/SOLVATE -> PARENT


					66DDF797LP

OATP-8

TRANSPORTER -> INHIBITOR


					6K6FDA543A

ESTRONE SODIUM SULFATE

SALT/SOLVATE -> PARENT


					6NP3XSMIP3

MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1

TRANSPORTER -> SUBSTRATE

Qualification:

Vmax

Amount:


					1SXP70Y4XL

STERYL-SULFATASE

TARGET -> INHIBITOR

Amount:


					0ZGFTBKJ9A

SODIUM/BILE ACID COTRANSPORTER

TRANSPORTER -> SUBSTRATE

Related Record Type Details


					4TI98Z838E

ESTRADIOL

PARENT -> METABOLITE

Comments:

E2 is then extensively metabolized to estrone (E1) (15%), estrone sulfate (E1S) (65%), and other compounds.

Amount: