AMINOQUINOL TRIPHOSPHATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C26H31Cl2N3.3H3O4P
Molecular Weight	750.436
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.OP(O)(O)=O.OP(O)(O)=O.CCN(CC)CCCC(C)NC1=CC(\C=C\C2=C(Cl)C=CC=C2)=NC3=CC(Cl)=CC=C13

InChI

InChIKey=NHNXMYYNFQHZMQ-XPGLNUPKSA-N

InChI=1S/C26H31Cl2N3.3H3O4P/c1-4-31(5-2)16-8-9-19(3)29-26-18-22(14-12-20-10-6-7-11-24(20)28)30-25-17-21(27)13-15-23(25)26;3*1-5(2,3)4/h6-7,10-15,17-19H,4-5,8-9,16H2,1-3H3,(H,29,30);3*(H3,1,2,3,4)/b14-12+;;;

HIDE SMILES / InChI

Molecular Formula	C26H31Cl2N3
Molecular Weight	456.45
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	1
Optical Activity	( + / - )

Molecular Formula	H3O4P
Molecular Weight	97.9952
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 09:41:24 UTC 2023` Edited by `admin` on `Sat Dec 16 09:41:24 UTC 2023`
Record UNII	K0588F7XOC
Record Status	`Validated (UNII)`
Record Version