Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C33H36N4O3.2CH4O3S |
Molecular Weight | 728.875 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.NC1=CC=CC(CN2[C@H](CC3=CC=CC=C3)[C@H](O)[C@@H](O)[C@@H](CC4=CC=CC=C4)N(CC5=CC(N)=CC=C5)C2=O)=C1
InChI
InChIKey=HINZVVDZPLARRP-YSVIXOAZSA-N
InChI=1S/C33H36N4O3.2CH4O3S/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26;2*1-5(2,3)4/h1-18,29-32,38-39H,19-22,34-35H2;2*1H3,(H,2,3,4)/t29-,30-,31+,32+;;/m1../s1
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C33H36N4O3 |
Molecular Weight | 536.6639 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:44:32 UTC 2023
by
admin
on
Fri Dec 15 15:44:32 UTC 2023
|
Record UNII |
Y7D3X3G1Z1
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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Y7D3X3G1Z1
Created by
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9853375
Created by
admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023
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177932-89-7
Created by
admin on Fri Dec 15 15:44:33 UTC 2023 , Edited by admin on Fri Dec 15 15:44:33 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |