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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H15NO
Molecular Weight 261.3178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NNC-45-0095

SMILES

CCC1=C2C=CC=C3C=CC(N23)=C1C4=CC=C(O)C=C4

InChI

InChIKey=GBHFDPQPLXKNIU-UHFFFAOYSA-N
InChI=1S/C18H15NO/c1-2-15-16-5-3-4-13-8-11-17(19(13)16)18(15)12-6-9-14(20)10-7-12/h3-11,20H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H15NO
Molecular Weight 261.3178
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and pharmacology of a novel pyrrolo[2,1,5-cd] indolizine (NNC 45-0095), a high affinity non-steroidal agonist for the estrogen receptor.
2000 Feb 21
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:30:09 GMT 2023
Edited
by admin
on Sat Dec 16 09:30:09 GMT 2023
Record UNII
IS4M82C29X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NNC-45-0095
Common Name English
PHENOL, 4-(1-ETHYLPYRROLO(2,1,5-CD)INDOLIZIN-2-YL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60432621
Created by admin on Sat Dec 16 09:30:09 GMT 2023 , Edited by admin on Sat Dec 16 09:30:09 GMT 2023
PRIMARY
CAS
217318-90-6
Created by admin on Sat Dec 16 09:30:09 GMT 2023 , Edited by admin on Sat Dec 16 09:30:09 GMT 2023
PRIMARY
FDA UNII
IS4M82C29X
Created by admin on Sat Dec 16 09:30:09 GMT 2023 , Edited by admin on Sat Dec 16 09:30:09 GMT 2023
PRIMARY
WIKIPEDIA
NNC 45-0095
Created by admin on Sat Dec 16 09:30:09 GMT 2023 , Edited by admin on Sat Dec 16 09:30:09 GMT 2023
PRIMARY
PUBCHEM
9903336
Created by admin on Sat Dec 16 09:30:09 GMT 2023 , Edited by admin on Sat Dec 16 09:30:09 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY