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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H22N4O4S
Molecular Weight 366.435
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROVATIRELIN

SMILES

C[C@@H]1CCCN1C(=O)[C@H](CC2=CSC=N2)NC(=O)[C@H]3NC(=O)O[C@H]3C

InChI

InChIKey=WTXWDXWZGJGIHV-URBCHYCLSA-N
InChI=1S/C16H22N4O4S/c1-9-4-3-5-20(9)15(22)12(6-11-7-25-8-17-11)18-14(21)13-10(2)24-16(23)19-13/h7-10,12-13H,3-6H2,1-2H3,(H,18,21)(H,19,23)/t9-,10+,12+,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H22N4O4S
Molecular Weight 366.435
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:17:55 UTC 2023
Edited
by admin
on Fri Dec 15 19:17:55 UTC 2023
Record UNII
9DL0X410PY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROVATIRELIN
INN  
INN  
Official Name English
4-OXAZOLIDINECARBOXAMIDE, 5-METHYL-N-(2-(2-METHYL-1-PYRROLIDINYL)-2-OXO-1-(4-THIAZOLYLMETHYL)ETHYL)-2-OXO-, (4S-(4.ALPHA.(R*(S*)),5.ALPHA.))-
Common Name English
rovatirelin [INN]
Common Name English
(4S,5S)-5-METHYL-N-((2S)-1-((2R)-2-METHYLPYRROLIDIN-1-YL)-1-OXO-3-((1,3-THIAZOL-4-YL)METHYL)PROPAN-2-YL)-2-OXO-1,3-OXAZOLIDINE-4-CARBOXAMIDE
Systematic Name English
S-0373
Code English
KPS-0373
Code English
4-OXAZOLIDINECARBOXAMIDE, 5-METHYL-N-((1S)-2-((2R)-2-METHYL-1-PYRROLIDINYL)-2-OXO-1-(4-THIAZOLYLMETHYL)ETHYL)-2-OXO-, (4S,5S)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 895422
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
Code System Code Type Description
CAS
204386-76-5
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
PRIMARY
INN
9392
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
PRIMARY
FDA UNII
9DL0X410PY
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
PRIMARY
SMS_ID
300000025188
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
PRIMARY
NCI_THESAURUS
C152262
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
PRIMARY
DRUG BANK
DB15338
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID90174385
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
PRIMARY
PUBCHEM
9951059
Created by admin on Fri Dec 15 19:17:55 UTC 2023 , Edited by admin on Fri Dec 15 19:17:55 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
PARENT -> DERIVATIVE
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY