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Details

Stereochemistry ACHIRAL
Molecular Formula C24H30N4O2.C4H4O4
Molecular Weight 522.5928
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Orbitazine Fumarate

SMILES

OC(=O)\C=C\C(O)=O.OC1=C(\C=N\NC(=O)CN2CCCN(CC3=CC=CC=C3)CC2)C=CC=C1CC=C

InChI

InChIKey=AWSRHIHSQOEIIK-KRKDGWPXSA-N
InChI=1S/C24H30N4O2.C4H4O4/c1-2-8-21-11-6-12-22(24(21)30)17-25-26-23(29)19-28-14-7-13-27(15-16-28)18-20-9-4-3-5-10-20;5-3(6)1-2-4(7)8/h2-6,9-12,17,30H,1,7-8,13-16,18-19H2,(H,26,29);1-2H,(H,5,6)(H,7,8)/b25-17+;2-1+

HIDE SMILES / InChI

Molecular Formula C24H30N4O2
Molecular Weight 406.5206
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:46:00 GMT 2023
Edited
by admin
on Sat Dec 16 18:46:00 GMT 2023
Record UNII
P5B6U27VKT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Orbitazine Fumarate
Common Name English
1H-1,4-Diazepine-1-acetic acid, hexahydro-4-(phenylmethyl)-, 2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide, (2E)-2-butenedioate (1:1)
Systematic Name English
SM-1 (Antitumor agent)
Common Name English
Code System Code Type Description
PUBCHEM
135932499
Created by admin on Sat Dec 16 18:46:00 GMT 2023 , Edited by admin on Sat Dec 16 18:46:00 GMT 2023
PRIMARY
CAS
1186016-59-0
Created by admin on Sat Dec 16 18:46:00 GMT 2023 , Edited by admin on Sat Dec 16 18:46:00 GMT 2023
PRIMARY
FDA UNII
P5B6U27VKT
Created by admin on Sat Dec 16 18:46:00 GMT 2023 , Edited by admin on Sat Dec 16 18:46:00 GMT 2023
PRIMARY
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