DINALBUPHINE SEBACATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H68N2O10
Molecular Weight	881.1037
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC3=C(OC(=O)CCCCCCCCC(=O)OC4=C5O[C@@]6([H])[C@@H](O)CC[C@@]7(O)[C@@]8([H])CC(C=C4)=C5[C@@]67CCN8CC9CCC9)C=CC%10=C3[C@@]1%11CCN(CC%12CCC%12)[C@]([H])(C%10)[C@]%11(O)CC[C@@H]2O

InChI

InChIKey=ALOIOAGKUOQNID-ITCIXCFHSA-N

InChI=1S/C52H68N2O10/c55-35-19-21-51(59)39-27-33-15-17-37(45-43(33)49(51,47(35)63-45)23-25-53(39)29-31-9-7-10-31)61-41(57)13-5-3-1-2-4-6-14-42(58)62-38-18-16-34-28-40-52(60)22-20-36(56)48-50(52,44(34)46(38)64-48)24-26-54(40)30-32-11-8-12-32/h15-18,31-32,35-36,39-40,47-48,55-56,59-60H,1-14,19-30H2/t35-,36-,39+,40+,47-,48-,49-,50-,51+,52+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C52H68N2O10
Molecular Weight	881.1037
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:25:05 UTC 2023` Edited by `admin` on `Sat Dec 16 11:25:05 UTC 2023`
Record UNII	464OXX39Y6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DINALBUPHINE SEBACATE

Official Name

English

NALDEBAIN

Brand Name

English

SEBACOYLDINALBUPHINE

Common Name

English

NALBUPHINE SEBACATE

Official Name

English

dinalbuphine sebacate [INN]

Common Name

English

BIS(17-(CYCLOBUTYLMETHYL)-4,5.ALPHA.-EPOXY-6.ALPHA.,14-DIHYDROXYMORPHINAN-3-YL) DECANEDIOATE

Systematic Name

English

MORPHINAN-3,6,14-TRIOL, 17-(CYCLOBUTYLMETHYL)-4,5-EPOXY-, 3,3'-DECANEDIOATE, (5.ALPHA.,6.ALPHA.)-(5'.ALPHA.,6'.ALPHA.)-

Systematic Name

English

Nalbuphine sebacate [WHO-DD]

Common Name

English

Code System Code Type Description

SMS_ID

300000020471