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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H14N2O.ClH
Molecular Weight 250.724
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FADOLMIDINE HYDROCHLORIDE, (S)-

SMILES

Cl.OC1=CC=C2CC[C@@H](CC3=CNC=N3)C2=C1

InChI

InChIKey=OYKZVKWXOWICFI-PPHPATTJSA-N
InChI=1S/C13H14N2O.ClH/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11;/h3-4,6-8,10,16H,1-2,5H2,(H,14,15);1H/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H14N2O
Molecular Weight 214.2631
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:05:33 GMT 2023
Edited
by admin
on Sat Dec 16 11:05:33 GMT 2023
Record UNII
454V4WR48B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FADOLMIDINE HYDROCHLORIDE, (S)-
Common Name English
1H-INDEN-5-OL, 2,3-DIHYDRO-3-(1H-IMIDAZOL-5-YLMETHYL)-, HYDROCHLORIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
454V4WR48B
Created by admin on Sat Dec 16 11:05:34 GMT 2023 , Edited by admin on Sat Dec 16 11:05:34 GMT 2023
PRIMARY
PUBCHEM
76961046
Created by admin on Sat Dec 16 11:05:34 GMT 2023 , Edited by admin on Sat Dec 16 11:05:34 GMT 2023
PRIMARY
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