VICRIVIROC MALEATE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38F3N5O2.C4H4O4
Molecular Weight	649.701
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of VICRIVIROC MALEATE

Structure Search

SMILES

OC(=O)\C=C/C(O)=O.COC[C@H](N1CCN(C[C@@H]1C)C2(C)CCN(CC2)C(=O)C3=C(C)N=CN=C3C)C4=CC=C(C=C4)C(F)(F)F

InChI

InChIKey=GXINKQQWHLIBJA-UCIBKFKQSA-N

InChI=1S/C28H38F3N5O2.C4H4O4/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3;5-3(6)1-2-4(7)8/h6-9,18-19,24H,10-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C28H38F3N5O2
Molecular Weight	533.6288
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C4H4O4
Molecular Weight	116.0722
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:50 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:50 UTC 2023`
Record UNII	EP3QG127N9
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VICRIVIROC MALEATE

Official Name

English

SCH 417690

Code

English

SCH-417690

Code

English

VICRIVIROC MALEATE [MI]

Common Name

English

VICRIVIROC MALEATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1660

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

NCI_THESAURUS

C63817

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

Code System Code Type Description

PUBCHEM

6451165

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

PRIMARY

DRUG BANK

DBSALT002032

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

PRIMARY

NCI_THESAURUS

C73146

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

PRIMARY

ChEMBL

CHEMBL82301

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

PRIMARY

EPA CompTox

DTXSID8048656

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

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MERCK INDEX

m11442

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

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Merck Index

FDA UNII

EP3QG127N9

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

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SMS_ID

100000128269

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

PRIMARY

CAS

599179-03-0

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

PRIMARY

EVMPD

SUB35087

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

PRIMARY

USAN

QQ-77

Created by admin on Fri Dec 15 15:48:50 UTC 2023 , Edited by admin on Fri Dec 15 15:48:50 UTC 2023

PRIMARY

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