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

Details

Stereochemistry ACHIRAL
Molecular Formula C42H18N2O6
Molecular Weight 646.6021
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VAT BROWN 1

SMILES

O=C1C2=CC=CC=C2C(=O)C3=C4NC5=C6C(=O)C7=CC=CC=C7C(=O)C6=C8NC9=C%10C(=O)C%11=CC=CC=C%11C(=O)C%10=CC=C9C8=C5C4=CC=C13

InChI

InChIKey=DCYIADGZPJOOFN-UHFFFAOYSA-N
InChI=1S/C42H18N2O6/c45-37-17-7-1-3-9-19(17)39(47)29-25(37)15-13-23-27-28-24-14-16-26-30(40(48)20-10-4-2-8-18(20)38(26)46)34(24)44-36(28)32-31(35(27)43-33(23)29)41(49)21-11-5-6-12-22(21)42(32)50/h1-16,43-44H

HIDE SMILES / InChI

Molecular Formula C42H18N2O6
Molecular Weight 646.6021
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 17:34:01 GMT 2023
Edited
by admin
on Fri Dec 15 17:34:01 GMT 2023
Record UNII
7B7O2R5Q9A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VAT BROWN 1
Common Name English
CI 70800
Common Name English
C.I. VAT BROWN 1
Common Name English
CI VAT BROWN 1
Common Name English
TYRIAN BROWN I-BR
Common Name English
AMANTHRENE BROWN BR
Common Name English
CI 70802
Common Name English
DINAPHTHO(2,3-A:2',3'-I)NAPHTH(2',3':6,7)INDOLO(2,3- C)CARBAZOLE-5,10,15,17,22,24-HEXAONE, 16,23-DIHYDRO-
Systematic Name English
16,23-DIHYDRONAPHTH(2',3':6,7)INDOLO(2,3-C)DINAPHTHO(2,3- A:2'3'-I)CARBAZOLE-5,10,15,17,22,24-HEXONE
Systematic Name English
C.I. VAT BROWN 44
Common Name English
NAPHTH(2',3':6,7)INDOLO(2,3-C)DINAPHTHO(2,3-A:2',3'- I)CARBAZOLE-5,10,15,17,22,24-HEXONE, 16,23-DIHYDRO-
Systematic Name English
Code System Code Type Description
FDA UNII
7B7O2R5Q9A
Created by admin on Fri Dec 15 17:34:01 GMT 2023 , Edited by admin on Fri Dec 15 17:34:01 GMT 2023
PRIMARY
CAS
2475-33-4
Created by admin on Fri Dec 15 17:34:01 GMT 2023 , Edited by admin on Fri Dec 15 17:34:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID7026283
Created by admin on Fri Dec 15 17:34:01 GMT 2023 , Edited by admin on Fri Dec 15 17:34:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-599-7
Created by admin on Fri Dec 15 17:34:01 GMT 2023 , Edited by admin on Fri Dec 15 17:34:01 GMT 2023
PRIMARY
PUBCHEM
62448
Created by admin on Fri Dec 15 17:34:01 GMT 2023 , Edited by admin on Fri Dec 15 17:34:01 GMT 2023
PRIMARY