U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26N2O4.C4H6O5
Molecular Weight 504.5296
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMIDORPHAN L-MALATE

SMILES

O[C@@H](CC(O)=O)C(O)=O.NC(=O)C1=CC=C2C[C@H]3N(CC4CC4)CC[C@@]5(CC(=O)CC[C@@]35O)C2=C1O

InChI

InChIKey=RARHXUAUPNYAJF-QSYGGRRVSA-N
InChI=1S/C21H26N2O4.C4H6O5/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12;5-2(4(8)9)1-3(6)7/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26);2,5H,1H2,(H,6,7)(H,8,9)/t16-,20-,21-;2-/m10/s1

HIDE SMILES / InChI

Molecular Formula C4H6O5
Molecular Weight 134.0874
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C21H26N2O4
Molecular Weight 370.4421
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 Sat Dec 16 01:37:17 UTC 2023
Edited
by admin
on Sat Dec 16 01:37:17 UTC 2023
Record UNII
0AJQ5N56E0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAMIDORPHAN L-MALATE
USAN   WHO-DD  
USAN  
Official Name English
SAMIDORPHAN MALATE
Common Name English
Samidorphan l-malate [WHO-DD]
Common Name English
LYBALVI COMPONENT SAMIDORPHAN L-MALATE
Brand Name English
SAMIDORPHAN L-MALATE [ORANGE BOOK]
Common Name English
SAMIDORPHAN L-MALATE [USAN]
Common Name English
MORPHINAN-3-CARBOXAMIDE, 17-(CYCLOPROPYLMETHYL)-4,14-DIHYDROXY-6-OXO-, (2S)-2-HYDROXYBUTANEDIOATE (1:1)
Common Name English
SAMIDORPHAN L-MALATE COMPONENT OF LYBALVI
Brand Name English
RDC-0313-02
Code English
17-(CYCLOPROPYLMETHYL)-4,14-DIHYDROXY-6-OXOMORPHINAN-3-CARBOXAMIDE HYDROGEN (2S)-2-HYDROXYBUTANEDIOATE SALT
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C681
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
Code System Code Type Description
PUBCHEM
53362094
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
NCI_THESAURUS
C152294
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
EVMPD
SUB177950
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
RXCUI
2570387
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
SMS_ID
100000163599
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
CAS
1204592-75-5
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
USAN
XX-133
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
FDA UNII
0AJQ5N56E0
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
DAILYMED
0AJQ5N56E0
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
ChEMBL
CHEMBL426084
Created by admin on Sat Dec 16 01:37:17 UTC 2023 , Edited by admin on Sat Dec 16 01:37:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY