(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7(12),8,10-trien-11-ol | CAS No. 52485-79-7

(1S,2R,6S,14R,15R,16R)-3-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.1²,⁸.0¹,⁶.0⁶,¹⁴.0⁷,¹²]icosa-7(12),8,10-trien-11-ol

Basic Information

CAS Number

52485-79-7

Molecular Formula

C29H41NO4

Molecular Weight

467.64 g/mol

AD

Basic Physical Properties

Melting Point

260-262°C

Boiling Point

570.1°C (rough estimate)

Density

1.0953 (rough estimate)

Refractive Index

1.6290 (estimate)

CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5

InChI

InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1

InChIKey

RMRJXGBAOAMLHD-IHFGGWKQSA-N

LogP

4.413800000000004

Topological Polar Surface Area

62.16 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Safety Information

View Safety Information

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids
H370 Causes damage to organs
Specific target organ toxicity, single exposure

Synonyms & References

English

  • Buprenorphine
  • Buprenorphine solution
  • BUPRENORPHINE, CONTROLLED SUBSTANCE, EP STANDARD
  • Buprenophine
  • Buprenorfina
  • Buprenorphinum
  • Butrans
  • Probuphine
  • Subutex
  • Temgesic

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