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Details

Stereochemistry RACEMIC
Molecular Formula C10H24N2O2.2ClH
Molecular Weight 277.232
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHAMBUTOL DIHYDROCHLORIDE, DL-

SMILES

Cl.Cl.CC[C@@H](CO)NCCN[C@@H](CC)CO

InChI

InChIKey=AUAHHJJRFHRVPV-BZDVOYDHSA-N
InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/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 C10H24N2O2
Molecular Weight 204.3098
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:25:27 UTC 2023
Edited
by admin
on Fri Dec 15 15:25:27 UTC 2023
Record UNII
JNG307DJ5X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHAMBUTOL DIHYDROCHLORIDE, DL-
Common Name English
1-BUTANOL, 2,2'-(1,2-ETHANEDIYLDIIMINO)BIS-, DIHYDROCHLORIDE, (2R,2'R)-REL-
Common Name English
Code System Code Type Description
CAS
22196-75-4
Created by admin on Fri Dec 15 15:25:27 UTC 2023 , Edited by admin on Fri Dec 15 15:25:27 UTC 2023
PRIMARY
PUBCHEM
14051
Created by admin on Fri Dec 15 15:25:27 UTC 2023 , Edited by admin on Fri Dec 15 15:25:27 UTC 2023
PRIMARY
EPA CompTox
DTXSID50944849
Created by admin on Fri Dec 15 15:25:27 UTC 2023 , Edited by admin on Fri Dec 15 15:25:27 UTC 2023
PRIMARY
FDA UNII
JNG307DJ5X
Created by admin on Fri Dec 15 15:25:27 UTC 2023 , Edited by admin on Fri Dec 15 15:25:27 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE