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Details

Stereochemistry ACHIRAL
Molecular Formula C28H26N6S2
Molecular Weight 510.676
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4′-(1,4-Piperazinediyl)bis[2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine]

SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2N4CCN(CC4)C5=NC6=CC=CC=C6NC7=C5C=C(C)S7)S1

InChI

InChIKey=MLQMWTKHBAHDAN-UHFFFAOYSA-N
InChI=1S/C28H26N6S2/c1-17-15-19-25(29-21-7-3-5-9-23(21)31-27(19)35-17)33-11-13-34(14-12-33)26-20-16-18(2)36-28(20)32-24-10-6-4-8-22(24)30-26/h3-10,15-16,31-32H,11-14H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C28H26N6S2
Molecular Weight 510.676
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 19:56:04 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:04 GMT 2023
Record UNII
CBW649E5J4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,4′-(1,4-Piperazinediyl)bis[2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine]
Systematic Name English
10H-Thieno[2,3-b][1,5]benzodiazepine, 4,4′-(1,4-piperazinediyl)bis[2-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
138110402
Created by admin on Sat Dec 16 19:56:04 GMT 2023 , Edited by admin on Sat Dec 16 19:56:04 GMT 2023
PRIMARY
FDA UNII
CBW649E5J4
Created by admin on Sat Dec 16 19:56:04 GMT 2023 , Edited by admin on Sat Dec 16 19:56:04 GMT 2023
PRIMARY
CAS
1070876-09-3
Created by admin on Sat Dec 16 19:56:04 GMT 2023 , Edited by admin on Sat Dec 16 19:56:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY