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Details

Stereochemistry RACEMIC
Molecular Formula C9H16N4O
Molecular Weight 196.2495
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROLGAMIDINE

SMILES

C[C@@H]1C=C[C@@H](C)N1CC(=O)NC(N)=N

InChI

InChIKey=QHMGFQBUOCYLDT-RNFRBKRXSA-N
InChI=1S/C9H16N4O/c1-6-3-4-7(2)13(6)5-8(14)12-9(10)11/h3-4,6-7H,5H2,1-2H3,(H4,10,11,12,14)/t6-,7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H16N4O
Molecular Weight 196.2495
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:11:17 GMT 2023
Edited
by admin
on Fri Dec 15 16:11:17 GMT 2023
Record UNII
2M3NG13839
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROLGAMIDINE
INN   USAN  
INN   USAN  
Official Name English
ROLGAMIDINE [USAN]
Common Name English
WY-25,021
Code English
1H-PYRROLE-1-ACETAMIDE, N-(DIAMINOMETHYLENE)-2,5-DIHYDRO-2,5-DIMETHYL-, TRANS-
Systematic Name English
rolgamidine [INN]
Common Name English
trans-N-(Diaminomethylene)-2,5-dimethyl-3-pyrroline-1-acetamide
Systematic Name English
WY-25021
Code English
1H-PYRROLE-1-ACETAMIDE, N-(AMINOIMINOMETHYL)-2,5-DIHYDRO-2,5-DIMETHYL-, (2R,5R)-REL-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C266
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
Code System Code Type Description
ChEMBL
CHEMBL2104785
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
INN
5336
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
NCI_THESAURUS
C75194
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
EVMPD
SUB10364MIG
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
CAS
66608-04-6
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID50216775
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
SMS_ID
100000084350
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
USAN
Y-9
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
FDA UNII
2M3NG13839
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
PUBCHEM
3055175
Created by admin on Fri Dec 15 16:11:17 GMT 2023 , Edited by admin on Fri Dec 15 16:11:17 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY