AE98374
171752-68-4 | (1R,3R)-9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AE98374
ChemicalName
(1R,3R)-9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, hydrochloride
CasNumber
171752-68-4
MolecularFormula
C20H19ClN2O4
MolecularWeight
386.8289
MdlNumber
MFCD09842269
Smiles
COC(=O)[C@@H]1N[C@H](c2ccc3c(c2)OCO3)c2c(C1)c1ccccc1[nH]2.Cl
Complexity
544
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
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CatalogNumber: AE98374
ChemicalName: (1R,3R)-9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, hydrochloride
CasNumber: 171752-68-4
MolecularFormula: C20H19ClN2O4
MolecularWeight: 386.8289
MdlNumber: MFCD09842269
Smiles: COC(=O)[C@@H]1N[C@H](c2ccc3c(c2)OCO3)c2c(C1)c1ccccc1[nH]2.Cl
Complexity: 544
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AE98374
ChemicalName:
(1R,3R)-9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, hydrochloride
CasNumber:
171752-68-4
MolecularFormula:
C20H19ClN2O4
MolecularWeight:
386.8289
MdlNumber:
MFCD09842269
Smiles:
COC(=O)[C@@H]1N[C@H](c2ccc3c(c2)OCO3)c2c(C1)c1ccccc1[nH]2.Cl
Complexity:
544
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AE98375
ChemicalName: 3,4-Dihydro-1h-1,4-benzodiazepine-2,5-dione
CasNumber: 195985-12-7
MolecularFormula: C10H8N2O4
MolecularWeight: 220.1815
MdlNumber: MFCD00798180
Smiles: O=C1CNC(=O)c2c(N1)cc(cc2)C(=O)O
Complexity: 342
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AE98375
ChemicalName:
3,4-Dihydro-1h-1,4-benzodiazepine-2,5-dione
CasNumber:
195985-12-7
MolecularFormula:
C10H8N2O4
MolecularWeight:
220.1815
MdlNumber:
MFCD00798180
Smiles:
O=C1CNC(=O)c2c(N1)cc(cc2)C(=O)O
Complexity:
342
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: C=CCCCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
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__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCCCCCCCCC(=O)N[C@H](C(=O)O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sc(cc1N)c1cccs1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sc(cc1N)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__