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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25NO3.ClH.H2O
Molecular Weight 393.904
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NALMEFENE HYDROCHLORIDE MONOHYDRATE

SMILES

O.Cl.[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CCC2=C)=CC=C3O

InChI

InChIKey=DHNDBWKCHBYAIX-BGXRRRKMSA-N
InChI=1S/C21H25NO3.ClH.H2O/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13;;/h4-5,13,16,19,23-24H,1-3,6-11H2;1H;1H2/t16-,19+,20+,21-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NALMEFENE HYDROCHLORIDE MONOHYDRATE
Common Name English
MORPHINAN-3,14-DIOL, 17-(CYCLOPROPYLMETHYL)-4,5-EPOXY-6-METHYLENE-, HYDROCHLORIDE, HYDRATE (1:1:1), (5.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
1228646-72-7
Created by admin on Sat Dec 16 10:17:46 UTC 2023 , Edited by admin on Sat Dec 16 10:17:46 UTC 2023
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SMS_ID
100000182953
Created by admin on Sat Dec 16 10:17:46 UTC 2023 , Edited by admin on Sat Dec 16 10:17:46 UTC 2023
PRIMARY
FDA UNII
9EA638S2KS
Created by admin on Sat Dec 16 10:17:46 UTC 2023 , Edited by admin on Sat Dec 16 10:17:46 UTC 2023
PRIMARY
PUBCHEM
66750328
Created by admin on Sat Dec 16 10:17:46 UTC 2023 , Edited by admin on Sat Dec 16 10:17:46 UTC 2023
PRIMARY
EVMPD
SUB197220
Created by admin on Sat Dec 16 10:17:46 UTC 2023 , Edited by admin on Sat Dec 16 10:17:46 UTC 2023
PRIMARY