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Details

Stereochemistry ACHIRAL
Molecular Formula C11H10BrN5O2.ClH
Molecular Weight 360.594
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HYMENIALDISINE HYDROCHLORIDE

SMILES

Cl.NC1=N\C(C(=O)N1)=C2\CCNC(=O)C3=C2C=C(Br)N3

InChI

InChIKey=ZJYBDKMYEYZIHN-ZULQGGHCSA-N
InChI=1S/C11H10BrN5O2.ClH/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6;/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19);1H/b7-4-;

HIDE SMILES / InChI

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

Molecular Formula C11H10BrN5O2
Molecular Weight 324.133
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 18:48:03 GMT 2023
Edited
by admin
on Sat Dec 16 18:48:03 GMT 2023
Record UNII
S87F652YFC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HYMENIALDISINE HYDROCHLORIDE
Common Name English
PYRROLO(2,3-C)AZEPIN-8(1H)-ONE, 4-(2-AMINO-1,5-DIHYDRO-5-OXO-4H-IMIDAZOL-4-YLIDENE)-2-BROMO-4,5,6,7-TETRAHYDRO-, MONOHYDROCHLORIDE, (4Z)-
Systematic Name English
PYRROLO(2,3-C)AZEPIN-8(1H)-ONE, 4-(2-AMINO-1,5-DIHYDRO-5-OXO-4H-IMIDAZOL-4-YLIDENE)-2-BROMO-4,5,6,7-TETRAHYDRO-, HYDROCHLORIDE (1:1), (4Z)-
Systematic Name English
Code System Code Type Description
PUBCHEM
155929013
Created by admin on Sat Dec 16 18:48:03 GMT 2023 , Edited by admin on Sat Dec 16 18:48:03 GMT 2023
PRIMARY
CAS
329181-19-3
Created by admin on Sat Dec 16 18:48:03 GMT 2023 , Edited by admin on Sat Dec 16 18:48:03 GMT 2023
PRIMARY
FDA UNII
S87F652YFC
Created by admin on Sat Dec 16 18:48:03 GMT 2023 , Edited by admin on Sat Dec 16 18:48:03 GMT 2023
PRIMARY
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