U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H27ClN2.ClH
Molecular Weight 427.409
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of BASIC BLUE 5 HYDROCHLORIDE

SMILES

Cl.CCNC1=C(C)C=C(C=C1)C(=C2/C=C\C(=N/CC)C(C)=C2)\C3=CC=CC=C3Cl

InChI

InChIKey=MDOWYKFAQVNQJR-BUANJGQISA-N
InChI=1S/C25H27ClN2.ClH/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20;/h7-16,27H,5-6H2,1-4H3;1H/b25-20-,28-24+;

HIDE SMILES / InChI

Molecular Formula C25H27ClN2
Molecular Weight 390.948
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

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 18:07:20 GMT 2023
Edited
by admin
on Fri Dec 15 18:07:20 GMT 2023
Record UNII
CBB95HRG33
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BASIC BLUE 5 HYDROCHLORIDE
Common Name English
NSC-57698
Code English
C.I. BASIC BLUE 5, MONOHYDROCHLORIDE
Common Name English
4-(2-CHLORO-.ALPHA.-(4-ETHYLIMINO-3-METHYL-2,5-CYCLOHEXADIENYLIDENE)BENZYL)-N-ETHYL-O-TOLUIDINE MONOHYDROCHLORIDE
Systematic Name English
C.I. BASIC BLUE 5
Common Name English
CI BASIC BLUE 5
Common Name English
BENZENAMINE, 4-((2-CHLOROPHENYL)(4-(ETHYLIMINO)-3-METHYL-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-N-ETHYL-2-METHYL-, MONOHYDROCHLORIDE
Systematic Name English
CI BASIC BLUE 5, MONOHYDROCHLORIDE
Common Name English
BASIC BLUE 5
Common Name English
BENZENAMINE, 4-((2-CHLOROPHENYL)(4-(ETHYLIMINO)-3-METHYL-2,5-CYCLOHEXADIEN-1-YLIDENE)METHYL)-N-ETHYL-2-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
223-528-5
Created by admin on Fri Dec 15 18:07:20 GMT 2023 , Edited by admin on Fri Dec 15 18:07:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID0063238
Created by admin on Fri Dec 15 18:07:20 GMT 2023 , Edited by admin on Fri Dec 15 18:07:20 GMT 2023
PRIMARY
NSC
57698
Created by admin on Fri Dec 15 18:07:20 GMT 2023 , Edited by admin on Fri Dec 15 18:07:20 GMT 2023
PRIMARY
PUBCHEM
11967988
Created by admin on Fri Dec 15 18:07:20 GMT 2023 , Edited by admin on Fri Dec 15 18:07:20 GMT 2023
PRIMARY
FDA UNII
CBB95HRG33
Created by admin on Fri Dec 15 18:07:20 GMT 2023 , Edited by admin on Fri Dec 15 18:07:20 GMT 2023
PRIMARY
CAS
3943-82-6
Created by admin on Fri Dec 15 18:07:20 GMT 2023 , Edited by admin on Fri Dec 15 18:07:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE