ENCALERET SULFATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C29H33ClFNO4.H2O4S
Molecular Weight	1126.135
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ENCALERET SULFATE ANHYDROUS

Structure Search

SMILES

OS(O)(=O)=O.C[C@@H](OC[C@H](O)CNC(C)(C)CC1=CC(F)=C(Cl)C=C1)C2=C(C=CC=C2)C3=CC=C(C(O)=O)C(C)=C3.C[C@@H](OC[C@H](O)CNC(C)(C)CC4=CC(F)=C(Cl)C=C4)C5=C(C=CC=C5)C6=CC=C(C(O)=O)C(C)=C6

InChI

InChIKey=WSNVXWWLBYSQIM-DMHHVDOYSA-N

InChI=1S/2C29H33ClFNO4.H2O4S/c2*1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20;1-5(2,3)4/h2*5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35);(H2,1,2,3,4)/t2*19-,22-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C29H33ClFNO4
Molecular Weight	514.028
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 02:14:53 UTC 2023` Edited by `admin` on `Sat Dec 16 02:14:53 UTC 2023`
Record UNII	T3L2G43IWK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENCALERET SULFATE ANHYDROUS

Common Name

English

BIS((2R)-3-((1R)-1-(4'-CARBOXY-3'-METHYL(1,1'-BIPHENYL)-2-YL)ETHOXY)-N-(1-(4-CHLORO-3-FLUOROPHENYL)-2-METHYLPROPAN-2-YL)-2-HYDROXYPROPAN-1-AMINIUM) SULFATE

Common Name

English

(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 2'-((1R)-1-((2R)-3-((2-(4-CHLORO-3-FLUOROPHENYL)-1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)ETHYL)-3-METHYL-, SULFATE (2:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40229278

Created by admin on Sat Dec 16 02:14:53 UTC 2023 , Edited by admin on Sat Dec 16 02:14:53 UTC 2023

PRIMARY

PUBCHEM

49855308

Created by admin on Sat Dec 16 02:14:53 UTC 2023 , Edited by admin on Sat Dec 16 02:14:53 UTC 2023

PRIMARY

FDA UNII

T3L2G43IWK

Created by admin on Sat Dec 16 02:14:53 UTC 2023 , Edited by admin on Sat Dec 16 02:14:53 UTC 2023

PRIMARY

CAS

787584-79-6

Created by admin on Sat Dec 16 02:14:53 UTC 2023 , Edited by admin on Sat Dec 16 02:14:53 UTC 2023

PRIMARY

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