Basic information
- CAS
132210-62-9- Standard SMILES
CCCCCCCCCCCC1N=C(N)N2CCCC2=C1C(=O)OCCCCN=C(N)N- InChIKey
LNRWFIMDKWPBJL-UHFFFAOYSA-N- Molecular formula
- C24H44N6O2
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.35257467
Overview
Crambine A has been reported in Crambe crambe with data available.
Names & identifiers
- Preferred name
- Crambine A
- IUPAC
- 4-(diaminomethylideneamino)butyl 1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
Names & synonyms
Crambine ACrambescine A4-(diaminomethylideneamino)butyl 1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylatePyrrolo(1,2-c)pyrimidine-4-carboxylic acid, 1-amino-3,5,6,7-tetrahydro-3-undecyl-, 4-((aminoiminomethyl)amino)butyl ester, (+)-4-(diaminomethylideneamino)butyl 1-amino-3-decyl-3,5,6,7-tetrahydropyrrolo(1,2-c)pyrimidine-4-carboxylate4-(diaminomethylideneamino)butyl 1-amino-3-decyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate4-(diaminomethylideneamino)butyl 1-amino-3-dodecyl-3,5,6,7-tetrahydropyrrolo(1,2-c)pyrimidine-4-carboxylate4-(diaminomethylideneamino)butyl 1-amino-3-dodecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate4-(diaminomethylideneamino)butyl 1-amino-3-tridecyl-3,5,6,7-tetrahydropyrrolo(1,2-c)pyrimidine-4-carboxylate4-(diaminomethylideneamino)butyl 1-amino-3-tridecyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate4-(diaminomethylideneamino)butyl 1-amino-3-undecyl-3,5,6,7-tetrahydropyrrolo(1,2-c)pyrimidine-4-carboxylateRefChem:128380
Show more names
132210-62-9CHEMBL1186472
Database identifiers
- CAS
132210-62-9- PubChem CID
- 183100
- ChEMBL
CHEMBL1186472、CHEMBL465408- Nikkaji
- J470.847D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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