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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18INO4
Molecular Weight 415.2229
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ECGONINE-2-IODOBENZOATE

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=C(I)C=CC=C3)C(O)=O

InChI

InChIKey=VVNZVWWHBZXLEG-GSVCSZOMSA-N
InChI=1S/C16H18INO4/c1-18-9-6-7-12(18)14(15(19)20)13(8-9)22-16(21)10-4-2-3-5-11(10)17/h2-5,9,12-14H,6-8H2,1H3,(H,19,20)/t9-,12+,13-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H18INO4
Molecular Weight 415.2229
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:37:21 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:21 GMT 2023
Record UNII
S4D983LF3W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECGONINE-2-IODOBENZOATE
Common Name English
O-(2-IODOBENZOYL)ECGONINE
Common Name English
8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-((2-IODOBENZOYL)OXY)-8-METHYL-, (1R-(EXO,EXO))-
Systematic Name English
O-IODOBENZOYLECGONINE
Common Name English
Code System Code Type Description
CAS
66409-87-8
Created by admin on Sat Dec 16 08:37:21 GMT 2023 , Edited by admin on Sat Dec 16 08:37:21 GMT 2023
PRIMARY
PUBCHEM
22801441
Created by admin on Sat Dec 16 08:37:21 GMT 2023 , Edited by admin on Sat Dec 16 08:37:21 GMT 2023
PRIMARY
FDA UNII
S4D983LF3W
Created by admin on Sat Dec 16 08:37:21 GMT 2023 , Edited by admin on Sat Dec 16 08:37:21 GMT 2023
PRIMARY