ENUVAPTAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H15ClF6N8O3
Molecular Weight	576.839
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)C1=NC(CN2N=C(N(C[C@H](O)C(F)(F)F)C2=O)C3=CC=C(Cl)C=C3)=NN1C4=C(C=CC=N4)C(F)(F)F

InChI

InChIKey=AKFANCNULCXNMQ-ZDUSSCGKSA-N

InChI=1S/C21H15ClF6N8O3/c22-11-5-3-10(4-6-11)16-33-35(19(39)34(16)8-13(37)21(26,27)28)9-14-31-18(15(29)38)36(32-14)17-12(20(23,24)25)2-1-7-30-17/h1-7,13,37H,8-9H2,(H2,29,38)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H15ClF6N8O3
Molecular Weight	576.839
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:11:19 UTC 2023` Edited by `admin` on `Sat Dec 16 17:11:19 UTC 2023`
Record UNII	L86WO6BIP7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENUVAPTAN

Official Name

English

1H-1,2,4-TRIAZOLE-5-CARBOXAMIDE, 3-((3-(4-CHLOROPHENYL)-4,5-DIHYDRO-5-OXO-4-((2S)-3,3,3-TRIFLUORO-2-HYDROXYPROPYL)-1H-1,2,4-TRIAZOL-1-YL)METHYL)-1-(3-(TRIFLUOROMETHYL)-2-PYRIDINYL)-

Systematic Name

English

enuvaptan [INN]

Common Name

English

3-((3-(4-CHLOROPHENYL)-5-OXO-4-((2S)-3,3,3-TRIFLUORO-2- HYDROXYPROPYL)-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1- YL)METHYL)-1-(3-(TRIFLUOROMETHYL)PYRIDIN-2-YL)-1H-1,2,4- TRIAZOLE-5-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

INN

11527