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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H32N2O5.ClH
Molecular Weight 513.025
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NALBUPHINE 3-ANTHRANILATE HYDROCHLORIDE

SMILES

Cl.NC1=C(C=CC=C1)C(=O)OC2=C3O[C@H]4[C@@H](O)CC[C@@]5(O)[C@H]6CC(C=C2)=C3[C@@]45CCN6CC7CCC7

InChI

InChIKey=ORHGLNRVRUGPMO-MGVXHISASA-N
InChI=1S/C28H32N2O5.ClH/c29-19-7-2-1-6-18(19)26(32)34-21-9-8-17-14-22-28(33)11-10-20(31)25-27(28,23(17)24(21)35-25)12-13-30(22)15-16-4-3-5-16;/h1-2,6-9,16,20,22,25,31,33H,3-5,10-15,29H2;1H/t20-,22+,25-,27-,28+;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C28H32N2O5
Molecular Weight 476.5641
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 12:35:32 UTC 2019
Edited
by admin
on Tue Oct 22 12:35:32 UTC 2019
Record UNII
QK1M9OOX8N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NALBUPHINE 3-ANTHRANILATE HYDROCHLORIDE
Common Name English
MORPHINAN-3,6,14-TRIOL, 17-(CYCLOBUTYLMETHYL)-4,5-EPOXY-, 3-(2-AMINOBENZOATE), HYDROCHLORIDE, (5.ALPHA.,6.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
118045-21-9
Created by admin on Tue Oct 22 12:35:32 UTC 2019 , Edited by admin on Tue Oct 22 12:35:32 UTC 2019
PRIMARY
CAS
104160-03-4
Created by admin on Tue Oct 22 12:35:32 UTC 2019 , Edited by admin on Tue Oct 22 12:35:32 UTC 2019
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE