APREPITANT OPEN RING METHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H25F7N4O4
Molecular Weight	566.4685
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of APREPITANT OPEN RING METHYL ESTER

Structure Search

SMILES

COC(=O)NNC(=N)CN1CCO[C@H](O[C@H](C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[C@@H]1C3=CC=C(F)C=C3

InChI

InChIKey=JMBSYJOVXPFTFD-HBUDHLSFSA-N

InChI=1S/C24H25F7N4O4/c1-13(15-9-16(23(26,27)28)11-17(10-15)24(29,30)31)39-21-20(14-3-5-18(25)6-4-14)35(7-8-38-21)12-19(32)33-34-22(36)37-2/h3-6,9-11,13,20-21H,7-8,12H2,1-2H3,(H2,32,33)(H,34,36)/t13-,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H25F7N4O4
Molecular Weight	566.4685
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:50:11 UTC 2023` Edited by `admin` on `Sat Dec 16 10:50:11 UTC 2023`
Record UNII	TQ265G4AMC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APREPITANT OPEN RING METHYL ESTER

Common Name

English

HYDRAZINECARBOXYLIC ACID, 2-(2-((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)-1-IMINOETHYL)-, METHYL ESTER

Systematic Name

English

METHYL 2-(2-((2R,3S)-2-((1R)-1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHOXY)-3-(4-FLUOROPHENYL)-4-MORPHOLINYL)-1-IMINOETHYL)HYDRAZINECARBOXYLATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

11261570

Created by admin on Sat Dec 16 10:50:11 UTC 2023 , Edited by admin on Sat Dec 16 10:50:11 UTC 2023

PRIMARY

FDA UNII

TQ265G4AMC

Created by admin on Sat Dec 16 10:50:11 UTC 2023 , Edited by admin on Sat Dec 16 10:50:11 UTC 2023

PRIMARY

CAS

219821-37-1

Created by admin on Sat Dec 16 10:50:11 UTC 2023 , Edited by admin on Sat Dec 16 10:50:11 UTC 2023

PRIMARY

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APREPITANT

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Amount: