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Details

Stereochemistry ACHIRAL
Molecular Formula C21H14Br2N2O3.ClH
Molecular Weight 538.616
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TH-9402

SMILES

Cl.COC(=O)C1=C(C=CC=C1)C2=C3C=CC(=N)C(Br)=C3OC4=C2C=CC(N)=C4Br

InChI

InChIKey=MUDCDMMNYVJLEB-UHFFFAOYSA-N
InChI=1S/C21H14Br2N2O3.ClH/c1-27-21(26)11-5-3-2-4-10(11)16-12-6-8-14(24)17(22)19(12)28-20-13(16)7-9-15(25)18(20)23;/h2-9,24H,25H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C21H14Br2N2O3
Molecular Weight 502.155
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 Fri Dec 15 17:18:36 UTC 2023
Edited
by admin
on Fri Dec 15 17:18:36 UTC 2023
Record UNII
RVY229824B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TH-9402
Common Name English
4,5-DIBROMORHODAMINE 123
Common Name English
XANTHYLIUM, 3,6-DIAMINO-4,5-DIBROMO-9-(2-(METHOXYCARBONYL)PHENYL)-, CHLORIDE
Systematic Name English
4,5-DIBROMORHODAMINE METHYL ESTER HYDROCHLORIDE
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 166203
Created by admin on Fri Dec 15 17:18:36 UTC 2023 , Edited by admin on Fri Dec 15 17:18:36 UTC 2023
Code System Code Type Description
FDA UNII
RVY229824B
Created by admin on Fri Dec 15 17:18:36 UTC 2023 , Edited by admin on Fri Dec 15 17:18:36 UTC 2023
PRIMARY
CAS
174230-05-8
Created by admin on Fri Dec 15 17:18:36 UTC 2023 , Edited by admin on Fri Dec 15 17:18:36 UTC 2023
PRIMARY
PUBCHEM
9871944
Created by admin on Fri Dec 15 17:18:36 UTC 2023 , Edited by admin on Fri Dec 15 17:18:36 UTC 2023
PRIMARY
MESH
C121365
Created by admin on Fri Dec 15 17:18:36 UTC 2023 , Edited by admin on Fri Dec 15 17:18:36 UTC 2023
PRIMARY
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