ZOSUQUIDAR TRIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H31F2N3O2.3ClH
Molecular Weight	636.987
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ZOSUQUIDAR TRIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.[H][C@]12C3=CC=CC=C3[C@H](N4CCN(C[C@@H](O)COC5=CC=CC6=NC=CC=C56)CC4)C7=CC=CC=C7[C@@]1([H])C2(F)F

InChI

InChIKey=ZPFVQKPWGDRLHL-WITOOOCMSA-N

InChI=1S/C32H31F2N3O2.3ClH/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27;;;/h1-14,21,29-31,38H,15-20H2;3*1H/t21-,29-,30+,31-;;;/m1.../s1

HIDE SMILES / InChI

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

Molecular Formula	C32H31F2N3O2
Molecular Weight	527.6042
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:46:07 UTC 2023` Edited by `admin` on `Fri Dec 15 15:46:07 UTC 2023`
Record UNII	813AGY3126
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZOSUQUIDAR TRIHYDROCHLORIDE

Official Name

English

NSC-725086

Code

English

Zosuquidar trihydrochloride [WHO-DD]

Common Name

English

(R)-4-[(1aR,6R,10bS)-1,2-Difluoro-1,1a,6,10b-tetrahydrodibenzo[a,E]cyclopropa[c]cycloheptan-6-yl]-α-[(5-quinoloyloxy)methyl]-1-piperazineethanol trihydrochloride

Systematic Name

English

ZOSUQUIDAR TRIHYDROCHLORIDE [USAN]

Common Name

English

ZOSUQUIDAR TRIHYDROCHLORIDE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1744