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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H15N2O5.Cl
Molecular Weight 350.754
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-(DIMETHYLAMINO)-3,4-DIHYDROXY-1-(METHOXYCARBONYL)PHENOXAZIN-5-IUM CHLORIDE

SMILES

[Cl-].COC(=O)C1=C2N=C3C=CC(=CC3=[O+]C2=C(O)C(O)=C1)N(C)C

InChI

InChIKey=VWRUXDAQVHIGKB-UHFFFAOYSA-N
InChI=1S/C16H14N2O5.ClH/c1-18(2)8-4-5-10-12(6-8)23-15-13(17-10)9(16(21)22-3)7-11(19)14(15)20;/h4-7H,1-3H3,(H-,17,19,20,21);1H

HIDE SMILES / InChI

Molecular Formula C16H14N2O5
Molecular Weight 314.2928
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
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 Sat Dec 16 08:11:48 GMT 2023
Edited
by admin
on Sat Dec 16 08:11:48 GMT 2023
Record UNII
71K50A0AXE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-(DIMETHYLAMINO)-3,4-DIHYDROXY-1-(METHOXYCARBONYL)PHENOXAZIN-5-IUM CHLORIDE
Systematic Name English
CI 51040
Common Name English
SOLOCHROME PRUNE AS
Common Name English
GALLO BLUE E
Common Name English
SOLOCHROME PRUNE A
Common Name English
PHENOXAZIN-5-IUM,7-(DIMETHYLAMINO)-3,4-DIHYDROXY-1-(METHOXYCARBONYL)-, CHLORIDE
Common Name English
GALLOCYANINE METHYL ESTER
Common Name English
PHENOXAZIN-5-IUM, 7-(DIMETHYLAMINO)-3,4-DIHYDROXY-1-(METHOXYCARBONYL)-, CHLORIDE (1:1)
Systematic Name English
PRUNE PURE
Common Name English
C.I. 51040
Common Name English
Code System Code Type Description
FDA UNII
71K50A0AXE
Created by admin on Sat Dec 16 08:11:48 GMT 2023 , Edited by admin on Sat Dec 16 08:11:48 GMT 2023
PRIMARY
CAS
6416-51-9
Created by admin on Sat Dec 16 08:11:48 GMT 2023 , Edited by admin on Sat Dec 16 08:11:48 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-126-6
Created by admin on Sat Dec 16 08:11:48 GMT 2023 , Edited by admin on Sat Dec 16 08:11:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID30982668
Created by admin on Sat Dec 16 08:11:48 GMT 2023 , Edited by admin on Sat Dec 16 08:11:48 GMT 2023
PRIMARY