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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C17H19NO3.H2O4S
Molecular Weight 668.754
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NORCODEINE SULFATE ANHYDROUS

SMILES

OS(O)(=O)=O.[H][C@@]12OC3=C4C(C[C@@]5([H])NCC[C@@]14[C@@]5([H])C=C[C@@H]2O)=CC=C3OC.[H][C@@]67OC8=C9C(C[C@@]%10([H])NCC[C@@]69[C@@]%10([H])C=C[C@@H]7O)=CC=C8OC

InChI

InChIKey=JAUMZGYLEYAADU-KWFBBHJPSA-N
InChI=1S/2C17H19NO3.H2O4S/c2*1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16;1-5(2,3)4/h2*2-5,10-12,16,18-19H,6-8H2,1H3;(H2,1,2,3,4)/t2*10-,11+,12-,16-,17-;/m00./s1

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C17H19NO3
Molecular Weight 285.3377
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:14:21 UTC 2023
Edited
by admin
on Sat Dec 16 10:14:21 UTC 2023
Record UNII
F4XWM853CQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NORCODEINE SULFATE ANHYDROUS
Common Name English
MORPHINAN-6-OL, 7,8-DIDEHYDRO-4,5-EPOXY-3-METHOXY-, (5.ALPHA.,6.ALPHA.)-, SULFATE (2:1) (SALT)
Systematic Name English
NORCODEINE SULFATE
Common Name English
MORPHINAN-6.ALPHA.-OL, 7,8-DIDEHYDRO-4,5A-EPOXY-3-METHOXY-, SULFATE (1:1) (SALT)
Common Name English
Code System Code Type Description
PUBCHEM
92135626
Created by admin on Sat Dec 16 10:14:22 UTC 2023 , Edited by admin on Sat Dec 16 10:14:22 UTC 2023
PRIMARY
CAS
6035-25-2
Created by admin on Sat Dec 16 10:14:22 UTC 2023 , Edited by admin on Sat Dec 16 10:14:22 UTC 2023
PRIMARY
FDA UNII
F4XWM853CQ
Created by admin on Sat Dec 16 10:14:22 UTC 2023 , Edited by admin on Sat Dec 16 10:14:22 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE