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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H25NO2.C2H2O4
Molecular Weight 329.3887
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methyl-2-morpholino-4-(prop-1-en-2-yl)cyclohexan-1-ol oxalate, (1S,2S,4R)-

SMILES

OC(=O)C(O)=O.CC(=C)[C@@H]1CC[C@](C)(O)[C@H](C1)N2CCOCC2

InChI

InChIKey=JLJQMAWHXYXUOK-UDYGKFQRSA-N
InChI=1S/C14H25NO2.C2H2O4/c1-11(2)12-4-5-14(3,16)13(10-12)15-6-8-17-9-7-15;3-1(4)2(5)6/h12-13,16H,1,4-10H2,2-3H3;(H,3,4)(H,5,6)/t12-,13+,14+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C14H25NO2
Molecular Weight 239.3538
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C2H2O4
Molecular Weight 90.0349
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 20:10:17 GMT 2023
Edited
by admin
on Sat Dec 16 20:10:17 GMT 2023
Record UNII
LS2J6E82ZR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Methyl-2-morpholino-4-(prop-1-en-2-yl)cyclohexan-1-ol oxalate, (1S,2S,4R)-
Systematic Name English
(1S,2S,4R)-1-Methyl-2-morpholino-4-(prop-1-en-2-yl)cyclohexanol oxalate
Systematic Name English
Cyclohexanol, 1-methyl-4-(1-methylethenyl)-2-(4-morpholinyl)-, (1S,2S,4R)-, ethanedioate (salt)
Common Name English
Code System Code Type Description
PUBCHEM
118704793
Created by admin on Sat Dec 16 20:10:17 GMT 2023 , Edited by admin on Sat Dec 16 20:10:17 GMT 2023
PRIMARY
CAS
404866-38-2
Created by admin on Sat Dec 16 20:10:17 GMT 2023 , Edited by admin on Sat Dec 16 20:10:17 GMT 2023
PRIMARY
FDA UNII
LS2J6E82ZR
Created by admin on Sat Dec 16 20:10:17 GMT 2023 , Edited by admin on Sat Dec 16 20:10:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE