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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H33N5O2.H2O
Molecular Weight 381.5129
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEZAMPANEL 2-ETHYLBUTYRATE MONOHYDRATE

SMILES

O.[H][C@@]12CC[C@H](CCC3=NN=NN3)C[C@]1([H])C[C@H](NC2)C(=O)OCC(CC)CC

InChI

InChIKey=QARZUMPLLDXXBR-QKXZLCLGSA-N
InChI=1S/C19H33N5O2.H2O/c1-3-13(4-2)12-26-19(25)17-10-16-9-14(5-7-15(16)11-20-17)6-8-18-21-23-24-22-18;/h13-17,20H,3-12H2,1-2H3,(H,21,22,23,24);1H2/t14-,15+,16-,17+;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C19H33N5O2
Molecular Weight 363.4976
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 Sat Dec 16 11:13:15 UTC 2023
Edited
by admin
on Sat Dec 16 11:13:15 UTC 2023
Record UNII
NKF1M96H5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEZAMPANEL 2-ETHYLBUTYRATE MONOHYDRATE
Common Name English
NGX-426 MONOHYDRATE
Code English
3-ISOQUINOLINECARBOXYLIC ACID, DECAHYDRO-6-(2-(1H-TETRAZOL-5-YL)ETHYL)-, 2-ETHYLBUTYL ESTER, MONOHYDRATE, (3S,4AR,6R,8AR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
131633374
Created by admin on Sat Dec 16 11:13:15 UTC 2023 , Edited by admin on Sat Dec 16 11:13:15 UTC 2023
PRIMARY
FDA UNII
NKF1M96H5A
Created by admin on Sat Dec 16 11:13:15 UTC 2023 , Edited by admin on Sat Dec 16 11:13:15 UTC 2023
PRIMARY
CAS
845789-58-4
Created by admin on Sat Dec 16 11:13:15 UTC 2023 , Edited by admin on Sat Dec 16 11:13:15 UTC 2023
PRIMARY
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