Basic information
- CAS
69866-21-3- Standard SMILES
COc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6C[C@H]7C[C@@]78C6=CC(=O)c6[nH]cc(C)c68)cc54)[nH]c13)CCN2C(=N)O- InChIKey
UOWVMDUEMSNCAV-WYENRQIDSA-N- Molecular formula
- C37H33N7O8
- Average molar mass
- 703.7 g/mol
- Monoisotopic mass
- 703.23906104
Overview
See also: Antibiotic CC 1065 (preferred).
Names & identifiers
- Preferred name
- 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboximidic acid
- IUPAC
- 5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboximidic acid
- English name
- Rachelmycin
- Molecular formula
- C37H33N7O8
- Molecular weight
- 703.7
Names & synonyms
CC 1065NSC298223RachelmycinUOWVMDUEMSNCAV-WYENRQIDSA-NBenzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxamide, 7-[[1,6-dihydro-4-hydroxy-5-methoxy-7-[[(7bR,8aS)-4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl]carbonyl]benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-
Database identifiers
- CAS
69866-21-3- PubChem CID
- 136705201
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,610
Physicochemical properties
- Boiling point
- 704.36 °C · 704.36°C (rough estimate)
- Density
- 1.2929 · 1.2929 (rough estimate)
- refractive index
- 1.691 · 1.6910 (estimate)
- color
- Clustered needles or amorphous amber-coloredfoam
Chemistry & industry
Applications
UsesRachelmycin (CC-1065) is an antitumor antibiotic and a DNA-alkylating agent. Rachelmycin has cytotoxic potency that can be used as a cytotoxin to synthesis ADC. Rachelmycin effectively inhibits DNA synthesis. Rachelmycin can be used for cancer and infection research[1][2][3].
Suppliers2 total
MedChemExpress[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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