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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H16ClNO2.ClH
Molecular Weight 266.164
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOC hydrochloride, (S)-

SMILES

Cl.COC1=CC(C[C@H](C)N)=C(OC)C=C1Cl

InChI

InChIKey=UOWCUOAJVCUYGV-FJXQXJEOSA-N
InChI=1S/C11H16ClNO2.ClH/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2;/h5-7H,4,13H2,1-3H3;1H/t7-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C11H16ClNO2
Molecular Weight 229.703
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:23:22 GMT 2023
Edited
by admin
on Sat Dec 16 19:23:22 GMT 2023
Record UNII
JPJ8HW9E65
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOC hydrochloride, (S)-
Common Name English
Benzeneethanamine, 4-chloro-2,5-dimethoxy-α-methyl-, hydrochloride, (S)-
Systematic Name English
2,5-Dimethoxy-4-chloroamphetamine hydrochloride, (S)-
Common Name English
Code System Code Type Description
CAS
53626-24-7
Created by admin on Sat Dec 16 19:23:22 GMT 2023 , Edited by admin on Sat Dec 16 19:23:22 GMT 2023
PRIMARY
PUBCHEM
121490165
Created by admin on Sat Dec 16 19:23:22 GMT 2023 , Edited by admin on Sat Dec 16 19:23:22 GMT 2023
PRIMARY
FDA UNII
JPJ8HW9E65
Created by admin on Sat Dec 16 19:23:22 GMT 2023 , Edited by admin on Sat Dec 16 19:23:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE