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

Details

Stereochemistry ACHIRAL
Molecular Formula C33H40N3.MoO7W
Molecular Weight 870.47
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIGMENT BLUE 1

SMILES

[O-][W]1(=O)(=O)O[Mo](=O)(=O)O1.CCNC2=C3C=CC=CC3=CC(=C2)C(C4=CC=C(C=C4)N(CC)CC)=C5C=CC(C=C5)=[N+](CC)CC

InChI

InChIKey=NLXKXEKSNMCKNC-UHFFFAOYSA-N
InChI=1S/C33H40N3.Mo.7O.W/c1-6-34-32-24-28(23-27-13-11-12-14-31(27)32)33(25-15-19-29(20-16-25)35(7-2)8-3)26-17-21-30(22-18-26)36(9-4)10-5;;;;;;;;;/h11-24,34H,6-10H2,1-5H3;;;;;;;;;/q+1;;;;;;;;-1;

HIDE SMILES / InChI

Molecular Formula C33H40N3
Molecular Weight 478.6908
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula MoO7W
Molecular Weight 391.78
Charge -1
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 08:52:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:52:39 GMT 2023
Record UNII
4SBE571RQF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIGMENT BLUE 1
Common Name English
CI 42595 PHOSPHOTUNGSTOMOLYBDATE
Common Name English
C.I. PIGMENT BLUE 1
HSDB  
Common Name English
C.I. 42595:2
Common Name English
CASCADE BLUE
Common Name English
CI 42595:2
Common Name English
C.I. 42595 PHOSPHOTUNGSTOMOLYBDATE
Common Name English
C.I. PIGMENT BLUE 1 [HSDB]
Common Name English
ETHANAMINIUM, N-(4-((4-(DIETHYLAMINO)PHENYL)(4-(ETHYLAMINO)-1-NAPHTHALENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-ETHYL-, MOLYBDATETUNGSTATEPHOSPHATE
Systematic Name English
Code System Code Type Description
CAS
1325-87-7
Created by admin on Sat Dec 16 08:52:39 GMT 2023 , Edited by admin on Sat Dec 16 08:52:39 GMT 2023
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HSDB
5810
Created by admin on Sat Dec 16 08:52:39 GMT 2023 , Edited by admin on Sat Dec 16 08:52:39 GMT 2023
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FDA UNII
4SBE571RQF
Created by admin on Sat Dec 16 08:52:39 GMT 2023 , Edited by admin on Sat Dec 16 08:52:39 GMT 2023
PRIMARY
DAILYMED
4SBE571RQF
Created by admin on Sat Dec 16 08:52:39 GMT 2023 , Edited by admin on Sat Dec 16 08:52:39 GMT 2023
PRIMARY
RXCUI
1793744
Created by admin on Sat Dec 16 08:52:39 GMT 2023 , Edited by admin on Sat Dec 16 08:52:39 GMT 2023
PRIMARY