U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H18N2.2ClH
Molecular Weight 275.217
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of STOBADINE DIHYDROCHLORIDE

SMILES

Cl.Cl.[H][C@@]12CCN(C)C[C@]1([H])C3=C(N2)C=CC(C)=C3

InChI

InChIKey=XWLFAMANDIWUKH-IZUPTLQPSA-N
InChI=1S/C13H18N2.2ClH/c1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12;;/h3-4,7,11,13-14H,5-6,8H2,1-2H3;2*1H/t11-,13-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C13H18N2
Molecular Weight 202.2954
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
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 08:30:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:30:31 GMT 2023
Record UNII
3203ZPX474
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STOBADINE DIHYDROCHLORIDE
Common Name English
(-)-STOBADINE DIHYDROCHLORIDE
Common Name English
(-)-STOBADIN DIHYDROCHLORIDE
Systematic Name English
1H-PYRIDO(4,3-B)INDOLE, 2,3,4,4A,5,9B-HEXAHYDRO-2,8-DIMETHYL-, HYDROCHLORIDE (1:2), (4AR,9BS)-
Systematic Name English
1H-PYRIDO(4,3-B)INDOLE, 2,3,4,4A,5,9B-HEXAHYDRO-2,8-DIMETHYL-, DIHYDROCHLORIDE, (4AR,9BS)-
Common Name English
CIS-(-)-2,3,4,4A,5,9B-HEXAHYDRO-2,8-DIMETHYL-1H-PYRIDO(4,3-B)INDOLE DIHYDROCHLORIDE
Common Name English
DH-1011
Code English
1H-PYRIDO(4,3-B)INDOLE, 2,3,4,4A,5,9B-HEXAHYDRO-2,8-DIMETHYL-, LABELED WITH TRITIUM, DIHYDROCHLORIDE, CIS-(-)-
Systematic Name English
STOBADINE DIHYDROCHLORIDE, (-)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70914822
Created by admin on Sat Dec 16 08:30:32 GMT 2023 , Edited by admin on Sat Dec 16 08:30:32 GMT 2023
PRIMARY
PUBCHEM
108088
Created by admin on Sat Dec 16 08:30:32 GMT 2023 , Edited by admin on Sat Dec 16 08:30:32 GMT 2023
PRIMARY
CAS
124869-87-0
Created by admin on Sat Dec 16 08:30:32 GMT 2023 , Edited by admin on Sat Dec 16 08:30:32 GMT 2023
ALTERNATIVE
FDA UNII
3203ZPX474
Created by admin on Sat Dec 16 08:30:32 GMT 2023 , Edited by admin on Sat Dec 16 08:30:32 GMT 2023
PRIMARY
CAS
95751-51-2
Created by admin on Sat Dec 16 08:30:32 GMT 2023 , Edited by admin on Sat Dec 16 08:30:32 GMT 2023
PRIMARY
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