7-DESMETHYLORMELOXIFENE

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H33NO3
Molecular Weight	443.5772
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)OC2=C(C=CC(O)=C2)[C@H]([C@@H]1C3=CC=CC=C3)C4=CC=C(OCCN5CCCC5)C=C4

InChI

InChIKey=PAIABUZDHNKOIL-IZLXSDGUSA-N

InChI=1S/C29H33NO3/c1-29(2)28(22-8-4-3-5-9-22)27(25-15-12-23(31)20-26(25)33-29)21-10-13-24(14-11-21)32-19-18-30-16-6-7-17-30/h3-5,8-15,20,27-28,31H,6-7,16-19H2,1-2H3/t27-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H33NO3
Molecular Weight	443.5772
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:18:35 UTC 2023` Edited by `admin` on `Sat Dec 16 02:18:35 UTC 2023`
Record UNII	Z524X388WM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-DESMETHYLORMELOXIFENE

Common Name

English

2H-1-BENZOPYRAN-7-OL, 3,4-DIHYDRO-2,2-DIMETHYL-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-, (3R,4R)-REL-

Systematic Name

English

REL-(3R,4R)-3,4-DIHYDRO-2,2-DIMETHYL-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-2H-1-BENZOPYRAN-7-OL

Common Name

English

(±)-7-DESMETHYLORMELOXIFENE

Common Name

English

7-DESMETHYLCENTCHROMAN

Common Name

English

2H-1-BENZOPYRAN-7-OL, 3,4-DIHYDRO-2,2-DIMETHYL-3-PHENYL-4-(4-(2-(1-PYRROLIDINYL)ETHOXY)-PHENYL)-, (E)-

Common Name

English

Code System Code Type Description

FDA UNII

Z524X388WM

Created by admin on Sat Dec 16 02:18:35 UTC 2023 , Edited by admin on Sat Dec 16 02:18:35 UTC 2023

PRIMARY

PUBCHEM

3069190

Created by admin on Sat Dec 16 02:18:35 UTC 2023 , Edited by admin on Sat Dec 16 02:18:35 UTC 2023

PRIMARY

EPA CompTox

DTXSID90233365

Created by admin on Sat Dec 16 02:18:35 UTC 2023 , Edited by admin on Sat Dec 16 02:18:35 UTC 2023

PRIMARY

CAS

84394-36-5

Created by admin on Sat Dec 16 02:18:35 UTC 2023 , Edited by admin on Sat Dec 16 02:18:35 UTC 2023

PRIMARY

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