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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H23N7O5.4H2O
Molecular Weight 477.4695
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TALTIRELIN TETRAHYDRATE

SMILES

O.O.O.O.CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(N)=O

InChI

InChIKey=HRCJDWMUKPHPHR-NTFWNTCYSA-N
InChI=1S/C17H23N7O5.4H2O/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26;;;;/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29);4*1H2/t10-,11-,12-;;;;/m0..../s1

HIDE SMILES / InChI

Molecular Formula C17H23N7O5
Molecular Weight 405.4084
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:01:26 UTC 2023
Edited
by admin
on Sat Dec 16 07:01:26 UTC 2023
Record UNII
525OEO6W15
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TALTIRELIN TETRAHYDRATE
MI  
Common Name English
TALTIRELIN HYDRATE
JAN  
Common Name English
TALTIRELIN TETRAHYDRATE [MI]
Common Name English
Taltirelin tetrahydrate [WHO-DD]
Common Name English
TALTIRELIN HYDRATE [JAN]
Common Name English
L-PROLINAMIDE, N-(((4S)-HEXAHYDRO-1-METHYL-2,6-DIOXO-4-PYRIMIDINYL)CARBONYL)-L-HISTIDYL-, HYDRATE (1:4)
Systematic Name English
CEREDIST
Brand Name English
Classification Tree Code System Code
NCI_THESAURUS C76367
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
Code System Code Type Description
SMS_ID
300000013131
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
PRIMARY
CHEBI
157598
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
PRIMARY
PUBCHEM
656609
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
PRIMARY
FDA UNII
525OEO6W15
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
PRIMARY
NCI_THESAURUS
C79830
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
PRIMARY NCIT
MERCK INDEX
m10447
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID3021300
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
PRIMARY
CAS
201677-75-0
Created by admin on Sat Dec 16 07:01:26 UTC 2023 , Edited by admin on Sat Dec 16 07:01:26 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY