7-PET

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H37NO4
Molecular Weight	487.6298
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C2O[C@@H]3[C@]45CCN(C)[C@H](CC(C=C1)=C24)[C@@]56C[C@H]([C@](C)(O)CCC7=CC=CC=C7)[C@]3(OC)C=C6

InChI

InChIKey=FAIFRACTBXWXGY-JTTXIWGLSA-N

InChI=1S/C31H37NO4/c1-28(33,13-12-20-8-6-5-7-9-20)23-19-29-14-15-31(23,35-4)27-30(29)16-17-32(2)24(29)18-21-10-11-22(34-3)26(36-27)25(21)30/h5-11,14-15,23-24,27,33H,12-13,16-19H2,1-4H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H37NO4
Molecular Weight	487.6298
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:35:42 GMT 2025` Edited by `admin` on `Mon Mar 31 23:35:42 GMT 2025`
Record UNII	EA1GYF2V3I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-PET

Common Name

English

(2R)-2-((4R,7S,7AR,12BS,14R)-7,9-DIMETHOXY-3-METHYL-1,2,3,4,7,7A-HEXAHYDRO-7,4A-ETHANO-4,12-METHANOBENZOFURO(3,2-E)ISOQUINOLIN-14-YL)-4-PHENYLBUTAN-2-OL

Preferred Name

English

6,14-ETHENOMORPHINAN-7-METHANOL, 4,5-EPOXY-3,6-DIMETHOXY-.ALPHA.,17-DIMETHYL-.ALPHA.-(2-PHENYLETHYL)-, (.ALPHA.R,5.ALPHA.,7.ALPHA.)-

Systematic Name

English

6,14-ENDO-ETHENOTETRAHYDROTHEBAINE, 7.ALPHA.-(1-HYDROXY-1-METHYL-3-PHENYLPROPYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

EA1GYF2V3I