APLAVIROC HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H43N3O6.ClH
Molecular Weight	614.172
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.[H][C@@]1(NC(=O)C2(CCN(CC3=CC=C(OC4=CC=C(C=C4)C(O)=O)C=C3)CC2)N(CCCC)C1=O)[C@H](O)C5CCCCC5

InChI

InChIKey=QNNBMSGFNQRUEH-PQQSRXGVSA-N

InChI=1S/C33H43N3O6.ClH/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40;/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40);1H/t28-,29-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C33H43N3O6
Molecular Weight	577.711
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 15:35:19 UTC 2023` Edited by `admin` on `Fri Dec 15 15:35:19 UTC 2023`
Record UNII	04D148Z3VR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APLAVIROC HYDROCHLORIDE

Official Name

English

Aplaviroc hydrochloride [WHO-DD]

Common Name

English

4-(4-(((3R)-1-BUTYL-3-((R)-CYCLOHEXYLHYDROXYMETHYL)-2,5-DIOXO-1,4,9- TRIAZASPIRO(5.5)UNDEC-9-YL)METHYL)PHENOXY)BENZOIC ACID HYDROCHLORIDE

Systematic Name

English

APLAVIROC HCL

Common Name

English

APLAVIROC HYDROCHLORIDE [USAN]

Common Name

English

GW873140A

Code

English

APLAVIROC HYDROCHLORIDE [MI]

Common Name

English

BENZOIC ACID, 4-(4-(((3R)-1-BUTYL-3-((R)-CYCLOHEXYLHYDROXYMETHYL)-2,5-DIOXO-1,4,9-TRIAZASPIRO(5.5)UNDEC-9-YL)METHYL)PHENOXY)-, MONOHYDROCHLORIDE

Common Name

English

GW-873140A

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1660