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Details

Stereochemistry RACEMIC
Molecular Formula C26H37NO2
Molecular Weight 395.5775
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A-40174, CIS-(±)-

SMILES

CCCCC[C@@H](C)[C@H](C)C1=CC2=C(C(O)=C1)C3=C(CCN(CC#C)C3)C(C)(C)O2

InChI

InChIKey=PNEYWTKVWJBOMD-MOPGFXCFSA-N
InChI=1S/C26H37NO2/c1-7-9-10-11-18(3)19(4)20-15-23(28)25-21-17-27(13-8-2)14-12-22(21)26(5,6)29-24(25)16-20/h2,15-16,18-19,28H,7,9-14,17H2,1,3-6H3/t18-,19+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
A-40174, CIS-(±)-
Code English
2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-OL, 8-((1R,2S)-1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYN-1-YL)-, REL-
Systematic Name English
A-42235
Code English
REL-8-((1R,2S)-1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYN-1-YL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-OL
Systematic Name English
Code System Code Type Description
PUBCHEM
92845381
Created by admin on Sat Dec 16 15:03:55 GMT 2023 , Edited by admin on Sat Dec 16 15:03:55 GMT 2023
PRIMARY
FDA UNII
7M5M8U15PH
Created by admin on Sat Dec 16 15:03:55 GMT 2023 , Edited by admin on Sat Dec 16 15:03:55 GMT 2023
PRIMARY