FOSAMPRENAVIR CALCIUM HYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H34N3O9PS.Ca.H2O
Molecular Weight	641.684
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FOSAMPRENAVIR CALCIUM HYDRATE

Structure Search

SMILES

O.[Ca++].CC(C)CN(C[C@@H](OP([O-])([O-])=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)S(=O)(=O)C3=CC=C(N)C=C3

InChI

InChIKey=QHFWDZHAYXYUOZ-KMIZVRHLSA-L

InChI=1S/C25H36N3O9PS.Ca.H2O/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21;;/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32);;1H2/q;+2;/p-2/t21-,23-,24+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C25H34N3O9PS
Molecular Weight	583.591
Charge	-2
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 `Sat Dec 16 18:08:05 UTC 2023` Edited by `admin` on `Sat Dec 16 18:08:05 UTC 2023`
Record UNII	VG5E5BF53X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FOSAMPRENAVIR CALCIUM HYDRATE

Common Name

English

FOSAMPRENAVIR CALCIUM HYDRATE [JAN]

Common Name

English

CARBAMIC ACID, ((1S,2R)-3-(((4-AMINOPHENYL)SULFONYL)(2-METHYLPROPYL)AMINO)-1-(PHENYLMETHYL)-2-(PHOSPHONOOXY)PROPYL)-, C-((3S)-TETRAHYDRO-3-FURANYL) ESTER, MONOCALCIUM SALT, HYDRATE

Systematic Name

English

Code System Code Type Description

FDA UNII

VG5E5BF53X

Created by admin on Sat Dec 16 18:08:05 UTC 2023 , Edited by admin on Sat Dec 16 18:08:05 UTC 2023

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PUBCHEM

11954282

Created by admin on Sat Dec 16 18:08:05 UTC 2023 , Edited by admin on Sat Dec 16 18:08:05 UTC 2023

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