 Home > Encyclopedia > (3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

(3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

(3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one structure

CAS No:
59593-15-6
Formula:
C13H14N2O4
Chemical Name:
(3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Synonyms:
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-,(3R,11aS)-;5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one,1,2,3,11a-tetrahydro-3,8-dihydroxy-7-methoxy-,(3R-cis)-;(3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one;Neothramycin B;(+)-Neothramycin B

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(3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one Basic Attributes

Molecular Weight：

262.26 g/mol

Exact Mass：

262.26

Characteristics

PSA：

82.4 Å²

Melting Point：

144-151 °C (decomp)

Drug Information

MeSH Entry Terms：

neothramycin B

Computed Properties

Molecular Weight:262.26
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:262.09535693
Monoisotopic Mass:262.09535693
Topological Polar Surface Area:82.4
Heavy Atom Count:19
Complexity:400
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3R,11aS)-1,2,3,11a-Tetrahydro-3,8-dihydroxy-7-methoxy-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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