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Details

Stereochemistry RACEMIC
Molecular Formula C23H28Cl3N3O
Molecular Weight 468.847
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINACRINE MUSTARD

SMILES

COC1=CC2=C(C=C1)N=C3C=C(Cl)C=CC3=C2NC(C)CCCN(CCCl)CCCl

InChI

InChIKey=UKOBAUFLOGFCMV-UHFFFAOYSA-N
InChI=1S/C23H28Cl3N3O/c1-16(4-3-11-29(12-9-24)13-10-25)27-23-19-7-5-17(26)14-22(19)28-21-8-6-18(30-2)15-20(21)23/h5-8,14-16H,3-4,9-13H2,1-2H3,(H,27,28)

HIDE SMILES / InChI

Molecular Formula C23H28Cl3N3O
Molecular Weight 468.847
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:33:52 GMT 2023
Edited
by admin
on Sat Dec 16 08:33:52 GMT 2023
Record UNII
8Y3YQP8GW6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUINACRINE MUSTARD
Common Name English
N1,N1-BIS(2-CHLOROETHYL-N4-(6-CHLORO-2-METHOXY-9-ACRIDINYL)-1,4-PENTANEDIAMINE
Common Name English
ACRIDINE, 9-((4-(BIS(2-CHLOROETHYL)AMINO)-1-METHYLBUTYL)AMINO)-6-CHLORO-2-METHOXY-
Systematic Name English
1,4-PENTANEDIAMINE, N1,N1-BIS(2-CHLOROETHYL)-N4-(6-CHLORO-2-METHOXY-9-ACRIDINYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
8Y3YQP8GW6
Created by admin on Sat Dec 16 08:33:52 GMT 2023 , Edited by admin on Sat Dec 16 08:33:52 GMT 2023
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DRUG BANK
DB02240
Created by admin on Sat Dec 16 08:33:52 GMT 2023 , Edited by admin on Sat Dec 16 08:33:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID40982194
Created by admin on Sat Dec 16 08:33:52 GMT 2023 , Edited by admin on Sat Dec 16 08:33:52 GMT 2023
PRIMARY
PUBCHEM
20194
Created by admin on Sat Dec 16 08:33:52 GMT 2023 , Edited by admin on Sat Dec 16 08:33:52 GMT 2023
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CAS
64046-79-3
Created by admin on Sat Dec 16 08:33:52 GMT 2023 , Edited by admin on Sat Dec 16 08:33:52 GMT 2023
PRIMARY
CHEBI
37595
Created by admin on Sat Dec 16 08:33:52 GMT 2023 , Edited by admin on Sat Dec 16 08:33:52 GMT 2023
PRIMARY