Bizelesin , CAS No.129655-21-6

CAS: 129655-21-6 Cat. No.: B351163 Peso molecular: 815.7 PubChem CID: 60794

COA

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Bizelesin - CAS No(129655-21-6) by Aladdin Scientific

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Synonyms

1,3-bis[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea | 1,3-Bis(2-(((S)-1-(chloromethyl)-1,6-dihydro-5-hydroxy-8-methylbenzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)indol-5-yl)urea | DTXSID0

Storage

Room temperature

Shipped In

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Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos

1, 3-bis[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7, 8-dihydro-3H-pyrrolo[3, 2-e]indole-6-carbonyl]-1H-indol-5-yl]urea | 1, 3-Bis(2-(((S)-1-(chloromethyl)-1, 6-dihydro-5-hydroxy-8-methylbenzo(1, 2-b:4, 3-b')dipyrrol-3(2H)-yl)carbonyl)indol-5-yl)urea | DTXSID0

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Sonrisas canónicas	CC1=CNC2=C(C=C3C(=C12)C(CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8CC(C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O
IUPAC Name	1,3-bis[2-[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]urea
InChIKey	FONKWHRXTPJODV-DNQXCXABSA-N
INCHI	1S/C43H36Cl2N8O5/c1-19-15-46-39-33(54)11-31-37(35(19)39)23(13-44)17-52(31)41(56)29-9-21-7-25(3-5-27(21)50-29)48-43(58)49-26-4-6-28-22(8-26)10-30(51-28)42(57)53-18-24(14-45)38-32(53)12-34(55)40-36(38)20(2)16-47-40/h3-12,15-16,23-24,46-47,50-51,54-55H,13-14,17-18H2,1-2H3,(H2,48,49,58)/t23-,24-/m1/s1
Isómeros SMILES	CC1=CNC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8C[C@H](C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O
PubChem CID	60794
Peso molecular	815.7

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Indoles and derivatives
    - Subclass Pyrroloindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Indoles and derivatives
Subclass	Pyrroloindoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrroloindoles
Alternative Parents	Indolecarboxamides and derivatives 3-methylindoles Hydroxyindoles Pyrrole carboxamides 2-heteroaryl carboxamides 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Azacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Alkyl chlorides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxamide derivative - Indolecarboxylic acid derivative - Pyrroloindole - 3-alkylindole - Hydroxyindole - 3-methylindole - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Urea - Carboxamide group - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Alkyl chloride - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Alkyl halide - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

Homo sapiens (32628 Activities)

Peso molecular	815.700 g/mol
XLogP3	6.500
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	814.219 Da
Monoisotopic Mass	814.219 Da
Topological Polar Surface Area	185.000 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1470.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1