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

Details

Stereochemistry ABSOLUTE
Molecular Formula C33H35F7N4O3
Molecular Weight 668.6448
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELINZANETANT

SMILES

[H][C@]12COCCN1C[C@@H](CO)N(C2)C3=NC=C(N(C)C(=O)C(C)(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=C3)C5=C(C)C=C(F)C=C5

InChI

InChIKey=DWRIJNIPBUFCQS-DQEYMECFSA-N
InChI=1S/C33H35F7N4O3/c1-19-9-23(34)5-6-26(19)27-13-29(44-16-25-18-47-8-7-43(25)15-24(44)17-45)41-14-28(27)42(4)30(46)31(2,3)20-10-21(32(35,36)37)12-22(11-20)33(38,39)40/h5-6,9-14,24-25,45H,7-8,15-18H2,1-4H3/t24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C33H35F7N4O3
Molecular Weight 668.6448
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:13:32 GMT 2023
Edited
by admin
on Sat Dec 16 10:13:32 GMT 2023
Record UNII
NZW2BOW35N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ELINZANETANT
INN   USAN  
Official Name English
BAY-3427080
Code English
NT-814
Code English
elinzanetant [INN]
Common Name English
BAY3427080
Code English
2-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-N-(4-(4-FLUORO-2-METHYLPHENYL)-6-((7S,9AS)-7-(HYDROXYMETHYL)HEXAHYDROPYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-3-PYRIDINYL)-N,2-DIMETHYLPROPANAMIDE
Systematic Name English
Elinzanetant [WHO-DD]
Common Name English
BENZAMIDE, 3-(5-METHYL-2-TBENZENEACETAMIDE, N-(4-(4-FLUORO-2-METHYLPHENYL)-6-((7S,9AS)-HEXAHYDRO-7-(HYDROXYMETHYL)PYRAZINO(2,1-C)(1,4)OXAZIN-8(1H)-YL)-3-PYRIDINYL)-N,.ALPHA.,.ALPHA.-TRIMETHYL-3,5-BIS(TRIFLUOROMETHYL)-
Systematic Name English
ELINZANETANT [USAN]
Common Name English
Code System Code Type Description
WIKIPEDIA
Elinzanetant
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
INN
10952
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
USAN
JK-113
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
CAS
929046-33-3
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
NCI_THESAURUS
C174774
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
PUBCHEM
16063568
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
FDA UNII
NZW2BOW35N
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID101337049
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
SMS_ID
300000024157
Created by admin on Sat Dec 16 10:13:32 GMT 2023 , Edited by admin on Sat Dec 16 10:13:32 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
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ACTIVE MOIETY