NALBUPHINE 3-ANTHRANILATE HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32N2O5.ClH
Molecular Weight	513.025
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NALBUPHINE 3-ANTHRANILATE HYDROCHLORIDE

Structure Search

SMILES

Cl.NC1=C(C=CC=C1)C(=O)OC2=CC=C3C[C@H]4N(CC5CCC5)CC[C@@]67[C@@H](OC2=C36)[C@@H](O)CC[C@@]47O

InChI

InChIKey=ORHGLNRVRUGPMO-MGVXHISASA-N

InChI=1S/C28H32N2O5.ClH/c29-19-7-2-1-6-18(19)26(32)34-21-9-8-17-14-22-28(33)11-10-20(31)25-27(28,23(17)24(21)35-25)12-13-30(22)15-16-4-3-5-16;/h1-2,6-9,16,20,22,25,31,33H,3-5,10-15,29H2;1H/t20-,22+,25-,27-,28+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C28H32N2O5
Molecular Weight	476.5641
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:50:16 UTC 2023` Edited by `admin` on `Fri Dec 15 15:50:16 UTC 2023`
Record UNII	QK1M9OOX8N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NALBUPHINE 3-ANTHRANILATE HYDROCHLORIDE

Common Name

English

MORPHINAN-3,6,14-TRIOL, 17-(CYCLOBUTYLMETHYL)-4,5-EPOXY-, 3-(2-AMINOBENZOATE), HYDROCHLORIDE, (5.ALPHA.,6.ALPHA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

13882149

Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023

PRIMARY

FDA UNII

QK1M9OOX8N

Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023

PRIMARY

CAS

118045-21-9

Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023

PRIMARY

CAS

104160-03-4

Created by admin on Fri Dec 15 15:50:16 UTC 2023 , Edited by admin on Fri Dec 15 15:50:16 UTC 2023

NON-SPECIFIC STOICHIOMETRY

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NALBUPHINE 3-ANTHRANILATE

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