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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N3OS.2ClH
Molecular Weight 338.296
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROCASTINE DIHYDROCHLORIDE, (R)-

SMILES

Cl.Cl.CN(C)CC[C@@H]1CN(C)C(=S)C2=CC=CN=C2O1

InChI

InChIKey=YMPCDUXVFUPMJD-YQFADDPSSA-N
InChI=1S/C13H19N3OS.2ClH/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10;;/h4-5,7,10H,6,8-9H2,1-3H3;2*1H/t10-;;/m1../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 C13H19N3OS
Molecular Weight 265.374
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 10:36:59 GMT 2023
Edited
by admin
on Sat Dec 16 10:36:59 GMT 2023
Record UNII
61Q8Y3L270
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROCASTINE DIHYDROCHLORIDE, (R)-
Common Name English
PYRIDO(3,2-F)-1,4-OXAZEPINE-5(2H)-THIONE, 2-(2-(DIMETHYLAMINO)ETHYL)-3,4-DIHYDRO-4-METHYL-, DIHYDROCHLORIDE, (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
13726484
Created by admin on Sat Dec 16 10:36:59 GMT 2023 , Edited by admin on Sat Dec 16 10:36:59 GMT 2023
PRIMARY
FDA UNII
61Q8Y3L270
Created by admin on Sat Dec 16 10:36:59 GMT 2023 , Edited by admin on Sat Dec 16 10:36:59 GMT 2023
PRIMARY
CAS
104641-57-8
Created by admin on Sat Dec 16 10:36:59 GMT 2023 , Edited by admin on Sat Dec 16 10:36:59 GMT 2023
PRIMARY
Related Record Type Details
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