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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H31N5O6
Molecular Weight 413.4686
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RAPASTINEL

SMILES

[H][C@]1(CCCN1C(=O)[C@]2([H])CCCN2C(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI

InChIKey=GIBQQARAXHVEGD-BSOLPCOYSA-N
InChI=1S/C18H31N5O6/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27)/t9-,10-,11+,12+,13+,14+/m1/s1

HIDE SMILES / InChI
Molecular Formula C18H31N5O6
Molecular Weight 413.4686
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:58:59 UTC 2023
Edited
by admin
on Sat Dec 16 01:58:59 UTC 2023
Record UNII
6A1X56B95E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RAPASTINEL
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
RAPASTINELUM
Common Name English
L-THREONINAMIDE, L-THREONYL-L-PROLYL-L-PROLYL-
Systematic Name English
TPPT-AMIDE
Common Name English
L-THREONYL-L-PROLYL-L-PROLYL-L-THREONINAMIDE
Systematic Name English
GLYX-13
Code English
rapastinel [INN]
Common Name English
Rapastinel [WHO-DD]
Common Name English
RAPASTINEL [USAN]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 199404
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
NCI_THESAURUS C265
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
Code System Code Type Description
SMS_ID
100000177061
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL3544917
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
WIKIPEDIA
Rapastinel
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID501030481
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
CAS
117928-94-6
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
DRUG BANK
DB11801
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
NCI_THESAURUS
C152156
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
INN
9981
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
FDA UNII
6A1X56B95E
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
USAN
CD-27
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
PUBCHEM
14539800
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
MESH
C507283
Created by admin on Sat Dec 16 01:58:59 UTC 2023 , Edited by admin on Sat Dec 16 01:58:59 UTC 2023
PRIMARY
Related Record Type Details
NMDA RECEPTOR
TARGET->PARTIAL AGONIST
Structure of RAPASTINEL ACETATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of RAPASTINEL
ACTIVE MOIETY
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