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(2E,11R,11aS)-2-Ethylidene-8-hydroxy-7,11-dimethoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one | CAS No. 35050-55-6

(2E,11R,11aS)-2-Ethylidene-8-hydroxy-7,11-dimethoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

Basic Information

Chemical_Structure_Of

CAS Number

35050-55-6

Molecular Formula

C16H20N2O4

Molecular Weight

304.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

145.5°C

Boiling Point

445.17°C (rough estimate)

Refractive Index

1.5800 (estimate)

SMILES

CC=C1CC2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC

InChI

InChI=1S/C16H20N2O4/c1-4-9-5-12-15(22-3)17-11-7-13(19)14(21-2)6-10(11)16(20)18(12)8-9/h4,6-7,12,15,17,19H,5,8H2,1-3H3/b9-4+/t12-,15+/m0/s1

InChIKey

UQVNRKBFAXNOGA-LWTNMJDUSA-N

LogP

1.9595999999999996

Topological Polar Surface Area

71.03000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

467

Synonyms & References

English

2-Ethylidene-1,2,3,10,11,11a-hexahydro-8-hydroxy-7,11-dimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
CHEMBL126464
HY-N10174
(6R,6aS,8E)-8-ethylidene-3-hydroxy-2,6-dimethoxy-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
2-Ethylidene-1,2,3,10,11,11a-hexahydro-8-hydroxy- 7,11-dimethoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
DTXSID501318354
Tomaymycin
5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 2-ethylidene-1,2,3,10,11,11a-hexahydro-8-hydroxy-7,11-dimethoxy-, (11R-(2E,11-alpha,11a-beta))-
(2E,11R,11aS)-2-ethylidene-8-hydroxy-7,11-dimethoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
(E)-tomaymycin
35050-55-6
CS-0369879
NSC 177499
CHEBI:167317
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,2-ethylidene-1,2,3,10,11,11a-hexahydro-8-hydroxy-7,11-dimethoxy-,(2E,11R,11aS)-
tomaymycin
(2E,11R,11aS)-2-Ethylidene-1,2,3,10,11,11a-hexahydro-8-hydroxy-7,11-dimethoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

JiangYinKangNuoTai Biotechnology Co Ltd

CAS Number: 35050-55-6