Indanomycin
Also known as Antibiotic X 14547, X 14547-A, Indanomycin from streptomyces*antibiotic us
Key facts
What buyers check first
- CAS number
- 66513-28-8
- Formula
- C31H43NO4
- Molar mass
- 493.69 g/mol
- HS code
- 293499
- Category
- Insecticides and acaricides
What is Indanomycin?
Plain description, key identifiers and synonyms
Indanomycin is an indene that is (3aS,7aR)-2,3,3a,4,5,7a-hexahydro-1H-indene which is substituted at the 2-pro-R position by a 1H-pyrrol-2-ylcarbonyl group, at the 9-pro-S position by an ethyl group, and at the 5-pro-R position by a hexa-1,3-dineyl group in which position 4 has been substituted by a (2R,3S,6R)-6-[(1R)-1-carboxyethyl]-3-methyltetrahydropyran-2-yl group. It exhibits activity against Gram-positive bacteria as well as antihypertensive and antitumour. It also functions as an effective growth promoter for ruminants. It has a role as an insecticide, an ionophore, an antibacterial agent, an antineoplastic agent, an antihypertensive agent, a bacterial metabolite and an animal growth promotant. It is a monocarboxylic acid, an indene, a member of oxanes and an aromatic ketone.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2R)-2-[(2R,5S,6R)-6-[(3E,5E)-6-[(1S,3aR,4S,5S,7aS)-1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid
- CAS number
- 66513-28-8
- Molecular formula
- C31H43NO4
- MDL number
- MFCD00133416
- InChIKey
- BAIPOTOKPGDCHA-MWBHXQFBSA-N
- InChI
- InChI=1S/C31H43NO4/c1-5-21-13-16-25-24(21)15-14-23(28(25)29(33)26-11-8-18-32-26)10-7-9-22(6-2)30-19(3)12-17-27(36-30)20(4)31(34)35/h7-11,14-15,18-21,23-25,27-28,30,32H,5-6,12-13,16-17H2,1-4H3,(H,34,35)/b10-7+,22-9+/t19-,20+,21-,23+,24+,25+,27+,28+,30+/m0/s1
- Canonical SMILES
- CCC(=CC=CC1C=CC2C(CC)CCC2C1C(=O)c1ccc[nH]1)C1OC(C(C)C(=O)O)CCC1C
- Isomeric SMILES
- CC[C@H]1CC[C@@H]2[C@@H]1C=C[C@H]([C@H]2C(=O)C3=CC=CN3)/C=C/C=C(\CC)/[C@H]4[C@H](CC[C@@H](O4)[C@@H](C)C(=O)O)C
Synonyms
- Antibiotic X 14547
- X 14547-A
- Indanomycin from streptomyces*antibiotic us
- Antibiotic X-14547A
- X 14547A
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 493.69 g/molcalc.Computed value |
|---|---|
| Exact mass | 493.3192 Dacalc.Computed value |
| LogP (octanol/water) | 6.85calc.Computed value |
| Topological polar surface area | 79.39 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 9calc.Computed value |
| Heavy atoms | 36calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.61calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 9calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
![Murcko scaffold of this chemical, O=C(c1ccc[nH]1)C1C(C=CC=CC2CCCCO2)C=CC2CCCC21](/scaffold/WPBDFNCJPLCHDN-UHFFFAOYSA-N/structure.svg)
O=C(c1ccc[nH]1)C1C(C=CC=CC2CCCCO2)C=CC2CCCC21
4 rings, 26 atoms.
9 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Indanomycin suppliers
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Indanomycin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- agrochemical
- animal growth promotant
- antibacterial agent
- antihypertensive agent
- antimicrobial agent
- antineoplastic agent
- bacterial metabolite
- biophysical role
- cardiovascular drug
- insecticide
- ionophore
- membrane transport modulator
- metabolite
- pesticide
- pharmaceutical
- prokaryotic metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Indanomycin is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Indanomycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
![2-[6-[6-[1-Ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid chemical structure, C31H43NO4](/s/BAIPOTOKPGDCHA-UHFFFAOYSA-N.svg)
![(2R)-2-[(2R,5S,6R)-6-[(3E,5Z)-6-[(1S,3aR,4S,5S,7aS)-1-Ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid chemical structure, C31H43NO4](/s/BAIPOTOKPGDCHA-RJSRDJJWSA-N.svg)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
![(2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)hexadecanoic acid chemical structure, C31H43NO4, CAS 193885-60-8](/s/LCAKCPJHRISEOH-LJAQVGFWSA-N.svg)
![12-Oxooleana-2,9(11)-dieno[2,3-d]isoxazol-28-oic acid chemical structure, C31H43NO4, CAS 1185309-11-8](/s/IBEBXEHNJGMMKK-UQMAOPSPSA-N.svg)
![Estr-9-ene-3,17-dione, 11-[4-(dimethylamino)phenyl]-5-hydroxy-, cyclic 3-(2,2-dimethyl-1,3-propanediyl acetal), (5I+/-,11I(2))- chemical structure, C31H43NO4, CAS 93748-54-0](/s/DNYDCTSKRITKFO-YVAAILABSA-N.svg)
![1,3-Dioxo-2-propyl-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl palmitate chemical structure, C31H43NO4, CAS 2133807-69-7](/s/RAFBTNAUUYSDBF-UHFFFAOYSA-N.svg)
![3-[(Dioctylamino)methyl]-1,2-dihydroxyanthracene-9,10-dione chemical structure, C31H43NO4, CAS 112812-33-6](/s/DWXUMDOXAXBENC-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Indanomycin, based on the data on this page
What is Indanomycin?
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What is the molecular formula and weight of Indanomycin?
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Guides for buyers
Practical guides that help when you source, ship or handle Indanomycin
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, RegulationREACH basics for non EU exportersWhat EU REACH requires, why non EU manufacturers use an only representative, tonnage bands, joint registration, exemptions, SDS and label duties, and practical steps.Read
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