U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O2
Molecular Weight 270.3661
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRONE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(O)C=C4

InChI

InChIKey=DNXHEGUUPJUMQT-CBZIJGRNSA-N
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

HIDE SMILES / InChI
Molecular Formula C18H22O2
Molecular Weight 270.3661
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:02:46 UTC 2023
Edited
by admin
on Sat Dec 16 16:02:46 UTC 2023
Record UNII
2DI9HA706A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ESTRONE
HSDB   INN   JAN   MART.   MI   ORANGE BOOK   USP   USP-RS   VANDF   WHO-DD  
INN  
Official Name English
ESTRONE [MI]
Common Name English
WAY 164397
Code English
1,3,5-ESTRATRIEN-3-OL-17-ONE
Common Name English
estrone [INN]
Common Name English
FOLLICULIN
Common Name English
ETHINYLESTRADIOL IMPURITY C [EP IMPURITY]
Common Name English
THEELIN
Brand Name English
FOLLICULAR-HORMONE
Common Name English
ESTRONE [VANDF]
Common Name English
FOLLICULINUM
HPUS  
Common Name English
OESTRONE
Common Name English
THELYKININ
Common Name English
KETOHYDROXYESTRIN
Common Name English
ESTRADIOL METABOLITE E1
Common Name English
FOLLICULAR HORMONE
Common Name English
TOKOKIN
Common Name English
ESTRONE [ORANGE BOOK]
Common Name English
FOLLICULINUM [HPUS]
Common Name English
ESTRONE [USP-RS]
Common Name English
ESTRONE [MART.]
Common Name English
ESTRONE [JAN]
Common Name English
3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE
Systematic Name English
ESTROGENIC SUBSTANCE
Brand Name English
ESTRADIOL HEMIHYDRATE IMPURITY A [EP IMPURITY]
Common Name English
Estrone [WHO-DD]
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-
Systematic Name English
ESTRONE [USP MONOGRAPH]
Common Name English
ESTRONE [HSDB]
Common Name English
(8R,9S,13S,14S)-3-HYDROXY-13-METHYL-6,7,8,9,11,12,13,14,15,16-DECAHYDRO-17H-CYCLOPENTA(A)PHENANTHREN-17-ONE
Systematic Name English
NSC-9699
Code English
Classification Tree Code System Code
LOINC 25403-7
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 2258-2
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LIVERTOX 376
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 13739-8
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
WHO-ATC G03CA07
Created by admin on Sat Dec 16 16:02:47 UTC 2023 , Edited by admin on Sat Dec 16 16:02:47 UTC 2023
LOINC 22663-9
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 34297-2
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 34299-8
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 31177-9
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
CFR 21 CFR 862.1430
Created by admin on Sat Dec 16 16:02:47 UTC 2023 , Edited by admin on Sat Dec 16 16:02:47 UTC 2023
LOINC 27998-4
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 2257-4
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 6776-9
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 35208-8
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 2261-6
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
WHO-ATC G03CC04
Created by admin on Sat Dec 16 16:02:47 UTC 2023 , Edited by admin on Sat Dec 16 16:02:47 UTC 2023
LOINC 14160-6
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 34298-0
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 2260-8
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 2262-4
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
LOINC 2259-0
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
WHO-VATC QG03CA07
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
CFR 21 CFR 862.1280
Created by admin on Sat Dec 16 16:02:47 UTC 2023 , Edited by admin on Sat Dec 16 16:02:47 UTC 2023
WHO-VATC QG03CC04
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
Code System Code Type Description
WIKIPEDIA
ESTRONE
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
CAS
53-16-7
Created by admin on Sat Dec 16 16:02:47 UTC 2023 , Edited by admin on Sat Dec 16 16:02:47 UTC 2023
PRIMARY
FDA UNII
2DI9HA706A
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
ChEMBL
CHEMBL1405
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
DAILYMED
2DI9HA706A
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
NCI_THESAURUS
C484
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
EVMPD
SUB07251MIG
Created by admin on Sat Dec 16 16:02:47 UTC 2023 , Edited by admin on Sat Dec 16 16:02:47 UTC 2023
PRIMARY
NSC
9699
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
DRUG CENTRAL
3188
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
SMS_ID
100000082364
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-164-5
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
IUPHAR
2818
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
WIKIPEDIA
Estrone (medication)
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
HSDB
3324
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
MESH
D004970
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
PUBCHEM
5870
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
INN
407
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
CHEBI
17263
Created by admin on Sat Dec 16 16:02:47 UTC 2023 , Edited by admin on Sat Dec 16 16:02:47 UTC 2023
PRIMARY
RXCUI
4103
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY RxNorm
MERCK INDEX
m5033
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB00655
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
RS_ITEM_NUM
1255001
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID4022367
Created by admin on Sat Dec 16 16:02:48 UTC 2023 , Edited by admin on Sat Dec 16 16:02:48 UTC 2023
PRIMARY
Related Record Type Details
OATP-B
TRANSPORTER -> INHIBITOR
Related Record Type Details
Structure of 3,4-ESTRONE QUINONE
METABOLITE -> PARENT
IN-VITRO
Scientific Literature
Structure of ESTRADIOL
PARENT -> METABOLITE
E2 is then extensively metabolized to estrone (E1) (15%), estrone sulfate (E1S) (65%), and other compounds.
Structure of .DELTA.6,7-ESTRADIOL
METABOLITE LESS ACTIVE -> PARENT
IN-VITRO
Scientific Literature
Structure of 16.ALPHA.-HYDROXYESTRONE
METABOLITE -> PARENT
IN-VIVO
URINE
Related Record Type Details
Structure of ETHINYL ESTRADIOL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ESTRADIOL HEMIHYDRATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ESTRADIOL BENZOATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (TLC)
USP
Related Record Type Details
Structure of ESTRONE
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966