PE-2I

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H24INO2
Molecular Weight	425.3038
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C3=CC=C(C)C=C3)C(=O)OC)N2C\C=C\I

InChI

InChIKey=YYCOWMQMXNLRHZ-DXWKFQSLSA-N

InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C19H24INO2
Molecular Weight	425.3038
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:27:41 GMT 2023` Edited by `admin` on `Sat Dec 16 10:27:41 GMT 2023`
Record UNII	CVO3TI9K02
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PE-2I

Common Name

English

PE 2I

Common Name

English

PE2I

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-IODO-2-PROPENYL)-3-(4-METHYLPHENYL)-, METHYL ESTER, (1R-(1.ALPHA.,2.ALPHA.,3.ALPHA.,5.ALPHA.,8(E)))-

Common Name

English

8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-((2E)-3-IODO-2-PROPEN-1-YL)-3-(4-METHYLPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-

Systematic Name

English

METHYL (1S,3S,4S,5R)-8-((E)-3-IODOALLYL)-3-(P-TOLYL)-8-AZABICYCLO(3.2.1)OCTANE-4-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

FDA UNII

CVO3TI9K02

Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023

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WEB RESOURCE

PE2I

Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023

PRIMARY

CAS

188680-71-9

Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023

PRIMARY

PUBCHEM

10741033

Created by admin on Sat Dec 16 10:27:41 GMT 2023 , Edited by admin on Sat Dec 16 10:27:41 GMT 2023

PRIMARY

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					D6UF8X4OMB

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					CVO3TI9K02

PE-2I

ACTIVE MOIETY