ORMELOXIFENE FUMARATE, (+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H35NO3.C4H4O4
Molecular Weight	573.676
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of ORMELOXIFENE FUMARATE, (+)-

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.COC1=CC2=C(C=C1)[C@@H]([C@@H](C3=CC=CC=C3)C(C)(C)O2)C4=CC=C(OCCN5CCCC5)C=C4

InChI

InChIKey=CKDZFQCZLXNLRD-WIPCKJGLSA-N

InChI=1S/C30H35NO3.C4H4O4/c1-30(2)29(23-9-5-4-6-10-23)28(26-16-15-25(32-3)21-27(26)34-30)22-11-13-24(14-12-22)33-20-19-31-17-7-8-18-31;5-3(6)1-2-4(7)8/h4-6,9-16,21,28-29H,7-8,17-20H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t28-,29+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C30H35NO3
Molecular Weight	457.6038
Charge	0
Count

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

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:37:23 GMT 2023` Edited by `admin` on `Sat Dec 16 12:37:23 GMT 2023`
Record UNII	IF3NIE20RC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ORMELOXIFENE FUMARATE, (+)-

Common Name

English

PYRROLIDINE, 1-(2-(4-((3S,4S)-3,4-DIHYDRO-7-METHOXY-2,2-DIMETHYL-3-PHENYL-2H-1-BENZOPYRAN-4-YL)PHENOXY)ETHYL)-, (2E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

1012789-13-7

Created by admin on Sat Dec 16 12:37:23 GMT 2023 , Edited by admin on Sat Dec 16 12:37:23 GMT 2023

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FDA UNII

IF3NIE20RC

Created by admin on Sat Dec 16 12:37:23 GMT 2023 , Edited by admin on Sat Dec 16 12:37:23 GMT 2023

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PUBCHEM

122706830

Created by admin on Sat Dec 16 12:37:23 GMT 2023 , Edited by admin on Sat Dec 16 12:37:23 GMT 2023

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