IOFLUPANE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H23FINO2
Molecular Weight	431.2836
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC=C(I)C=C3)N2CCCF

InChI

InChIKey=HXWLAJVUJSVENX-HZMVEIRTSA-N

InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H23FINO2
Molecular Weight	431.2836
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	VF232WE742
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

IOFLUPANE

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-

Systematic Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER, (1R-(EXO,EXO))-

Systematic Name

English

J731.794H

Code

English

NMA-78

Code

English

.BETA.-CIT-FP

Common Name

English

RTI-313

Code

English

(1R,2S,3S,5S)-8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID METHYL ESTER

Systematic Name

English

Code System

Code

Type

Description

SMS_ID

100000176986

PRIMARY

FDA UNII

VF232WE742

PRIMARY

PUBCHEM

10048368

PRIMARY

CAS

155797-99-2

PRIMARY

EPA CompTox

DTXSID30935290

PRIMARY

EVMPD

SUB192095

PRIMARY

RXCUI

2571854

PRIMARY

IUPHAR

7653

PRIMARY