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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 of PE-2I

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC=C(C)C=C3)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 Mon Mar 31 23:15:23 GMT 2025
Edited
by admin
on Mon Mar 31 23:15:23 GMT 2025
Record UNII
CVO3TI9K02
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PE-2I
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)))-
Preferred Name English
N-(3-IODOPROP-2E-ENYL)-2 BETA-CARBOMETHOXY-3 BETA-(4-METHYLPHENYL)NORTROPAN
Systematic Name English
PE 2I
Common Name English
PE2I
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 Mon Mar 31 23:15:23 GMT 2025 , Edited by admin on Mon Mar 31 23:15:23 GMT 2025
PRIMARY
WEB RESOURCE
PE2I
Created by admin on Mon Mar 31 23:15:23 GMT 2025 , Edited by admin on Mon Mar 31 23:15:23 GMT 2025
PRIMARY
CAS
188680-71-9
Created by admin on Mon Mar 31 23:15:23 GMT 2025 , Edited by admin on Mon Mar 31 23:15:23 GMT 2025
PRIMARY
PUBCHEM
10741033
Created by admin on Mon Mar 31 23:15:23 GMT 2025 , Edited by admin on Mon Mar 31 23:15:23 GMT 2025
PRIMARY
Related Record Type Details
LABELED -> NON-LABELED
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ACTIVE MOIETY