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Details

Stereochemistry RACEMIC
Molecular Formula C20H25NO2.BrH
Molecular Weight 392.33
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRAZINOL HYDROBROMIDE

SMILES

Br.COC1=CC2=C(C=C1)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)N3CC2

InChI

InChIKey=DIEDGWQBMYEFLT-UAQIFXDFSA-N
InChI=1S/C20H25NO2.BrH/c1-4-20(22)11-8-18-19(20,2)10-7-17-16-6-5-15(23-3)13-14(16)9-12-21(17)18;/h1,5-6,13,17-18,22H,7-12H2,2-3H3;1H/t17-,18-,19+,20+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C20H25NO2
Molecular Weight 311.418
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Originator

Curator's Comment: refernce retrieved from https://link.springer.com/chapter/10.1007%2F978-1-4757-2085-3_5

Approval Year

PubMed

PubMed

TitleDatePubMed
Estrogenic profile on a water-soluble estrogen, estrazinol hydrobromide.
1973
Doyle P: Azasteroids. II. 8-Aza-19-nortestosterones.
1968
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:21:05 GMT 2025
Edited
by admin
on Mon Mar 31 18:21:05 GMT 2025
Record UNII
P1NC244SOF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-3-METHOXY-8-AZA-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL HBR
Preferred Name English
ESTRAZINOL HYDROBROMIDE
USAN  
USAN  
Official Name English
(±)-3-METHOXY-8-AZA-19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YN-17-OL HYDROBROMIDE
Common Name English
ESTRAZINOL HBR
Common Name English
ESTRAZINOL HYDROBROMIDE [USAN]
Common Name English
W-4454A
Code English
W 4454A
Code English
8-AZA-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-METHOXY-, HYDROBROMIDE, (17.ALPHA.)-(±)-
Common Name English
8-AZA-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-17-OL, 3-METHOXY-, HBR, (17.ALPHA.)-(±)-
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1821
Created by admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
Code System Code Type Description
NCI_THESAURUS
C74403
Created by admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
PRIMARY
ChEMBL
CHEMBL2110830
Created by admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
PRIMARY
FDA UNII
P1NC244SOF
Created by admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
PRIMARY
CAS
15179-97-2
Created by admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
PRIMARY
PUBCHEM
20055480
Created by admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
PRIMARY
SMS_ID
300000055476
Created by admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID90934345
Created by admin on Mon Mar 31 18:21:05 GMT 2025 , Edited by admin on Mon Mar 31 18:21:05 GMT 2025
PRIMARY
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