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Details

Stereochemistry RACEMIC
Molecular Formula C16H24ClNO.ClH
Molecular Weight 318.282
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-15-8081

SMILES

Cl.[H][C@]1(CCCC[C@@H]1O)[C@@H](CN(C)C)C2=CC=C(Cl)C=C2

InChI

InChIKey=ZXNBVSHMGTYQIR-NLQWVURJSA-N
InChI=1S/C16H24ClNO.ClH/c1-18(2)11-15(12-7-9-13(17)10-8-12)14-5-3-4-6-16(14)19;/h7-10,14-16,19H,3-6,11H2,1-2H3;1H/t14-,15-,16-;/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 C16H24ClNO
Molecular Weight 281.821
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:32:41 GMT 2023
Edited
by admin
on Fri Dec 15 15:32:41 GMT 2023
Record UNII
UM995Z3OIB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-15-8081
Code English
Code System Code Type Description
FDA UNII
UM995Z3OIB
Created by admin on Fri Dec 15 15:32:41 GMT 2023 , Edited by admin on Fri Dec 15 15:32:41 GMT 2023
PRIMARY
CAS
99695-69-9
Created by admin on Fri Dec 15 15:32:41 GMT 2023 , Edited by admin on Fri Dec 15 15:32:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE