EVACETRAPIB MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H36F6N6O2.H2O
Molecular Weight	656.6622
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CN1N=NC(=N1)N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[C@H]3CCCN(C[C@H]4CC[C@@H](CC4)C(O)=O)C5=C3C=C(C)C=C5C

InChI

InChIKey=SNDKWXRGPMCSQJ-AWQMOBFQSA-N

InChI=1S/C31H36F6N6O2.H2O/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37;/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45);1H2/t20-,22-,26-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C31H36F6N6O2
Molecular Weight	638.647
Charge	0
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:41:04 UTC 2023` Edited by `admin` on `Fri Dec 15 15:41:04 UTC 2023`
Record UNII	28HST7EMYH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EVACETRAPIB MONOHYDRATE

Common Name

English

LY2484595 MONOHYDRATE

Code

English

LY-2484595 MONOHYDRATE

Code

English

CYCLOHEXANECARBOXYLIC ACID, 4-(((5S)-5-(((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)(2-METHYL-2H-TETRAZOL-5-YL)AMINO)-2,3,4,5-TETRAHYDRO-7,9-DIMETHYL-1H-1-BENZAZEPIN-1-YL)METHYL)-, HYDRATE (1:1), TRANS-

Common Name

English

Code System Code Type Description

SMS_ID

100000174867

Created by admin on Fri Dec 15 15:41:04 UTC 2023 , Edited by admin on Fri Dec 15 15:41:04 UTC 2023

PRIMARY

CAS

1259393-05-9

Created by admin on Fri Dec 15 15:41:04 UTC 2023 , Edited by admin on Fri Dec 15 15:41:04 UTC 2023

PRIMARY

FDA UNII

28HST7EMYH

Created by admin on Fri Dec 15 15:41:04 UTC 2023 , Edited by admin on Fri Dec 15 15:41:04 UTC 2023

PRIMARY

PUBCHEM

49848000

Created by admin on Fri Dec 15 15:41:04 UTC 2023 , Edited by admin on Fri Dec 15 15:41:04 UTC 2023

PRIMARY

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